SCHEMBL608005

SCHEMBL608005

CCCCCCCCCCCCCCCCCC(=O)C1CCc2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
ACHE P22303 2/20 0.45
PTGS2 P35354 2/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SOAT1 P35610 2/20 0.39
CYP19A1 P11511 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL599522 1.00 GAA (0.47) GAALMNAACHEPTGS2NPC1
SCHEMBL29458278 1.00 GAA (0.47) GAALMNAACHEPTGS2NPC1
SCHEMBL30721195 1.00 GAA (0.47) GAALMNAACHEPTGS2NPC1
SCHEMBL11599168 0.95 GAA (0.44) GAALMNAACHEPTGS2NPC1
SCHEMBL9276460 0.88 GAA (0.41) GAALMNAACHEPTGS2NPC1
SCHEMBL15912541 0.83 ACHE (0.53) LMNAACHEPTGS2NPC1RAB9A
SCHEMBL462356 0.81 PIN1 (0.48) ALDH1A1MTNR1AMTNR1B
SCHEMBL11156946 0.79 CYP19A1 (0.48) GAALMNAACHESMN1; SMN2ALDH1A1
SCHEMBL599710 0.75 ACHE (0.53) ACHEPTGS2NPC1RAB9AMEN1
SCHEMBL29458360 0.75 ACHE (0.53) ACHEPTGS2NPC1RAB9AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 170 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0108023-B1 PROCESS FOR THE STABILIZATION OF VINYL CHLORIDE POLYMERS RHONE-POULENC CHIMIE (FR) 1986-12-17 EP claimed
US-4123399-A B-DIKETONES, A POLYOL, AND AN ORGANO-METALLIC SALT RHONE-POULENC INDUSTRIES (FR) 1978-10-31 US claimed
US-4123400-A B-DIKETONES, A POLYOL, ORGANO-METALLIC SALTS RHONE-POULENC INDUSTRIES (FR) 1978-10-31 US claimed
CN-113993942-B Resin composition, and multilayer structure and packaging material using same 株式会社可乐丽 2024-01-05 CN disclosed
US-20230406990-A1 REACTIVE COMPOUND FOR PRODUCING POLYURETHANE LAYERS HAVING THERMALLY ACTIVATABLE CATALYST SYSTEMS BENECKE-KALIKO AG (DE) 2023-12-21 US disclosed
EP-3495425-B1 OXYGEN-ABSORBING RESIN COMPOSITION CONTAINING ORGANIC OXYGEN ABSORBER TOYO SEIKAN GROUP HOLDINGS LTD (JP) 2023-10-04 EP disclosed
EP-4214255-A1 REACTIVE COMPOUND FOR PRODUCING POLYURETHANE LAYERS HAVING THERMALLY ACTIVATABLE CATALYST SYSTEMS Benecke-Kaliko AG (DE) 2023-07-26 EP disclosed
CN-116096772-A Reactive mixtures for producing polyurethane layers with heat-activatable catalyst systems 贝内克-凯利科股份公司 2023-05-09 CN disclosed
US-20220259418-A1 Resin Composition, and Multilayer Structure and Packaging Material Using Same KURARAY CO., LTD. (JP) 2022-08-18 US disclosed
EP-3659801-B1 RESIN MOLDED BODY HAVING EXCELLENT DISCOLORATION RESISTANCE TOYO SEIKAN GROUP HOLDINGS LTD (JP) 2022-07-06 EP disclosed
WO-2022057985-A1 REACTIVE COMPOUND FOR PRODUCING POLYURETHANE LAYERS HAVING THERMALLY ACTIVATABLE CATALYST SYSTEMS BENECKE-KALIKO AG (DE) 2022-03-24 WO disclosed
EP-0063180-B1 BETA-DIKETONE AND HYDROTALCITE STABILIZER COMPOSITIONS FOR HALOGEN-CONTAINING POLYMERS AND POLYMER COMPOSITIONS CONTAINING THE SAME ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1987-04-08 EP disclosed
EP-0189899-A2 Synthetic resin composition having reduced corrosion-causing tendency and coloration Kyowa Chemical Industry Co., Ltd. (JP) 1986-08-06 EP disclosed
US-4427816-A β-Diketone and hydrotalcite stabilizer compositions for halogen-containing polymers and polymer compositions containing the same ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1984-01-24 US disclosed
US-4416797-A Chlorinated organic compounds having their resistance to deterioration enhanced by 1,3-dicarbonyl compounds ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1983-11-22 US disclosed
EP-0063180-A1 Beta-diketone and hydrotalcite stabilizer compositions for halogen-containing polymers and polymer compositions containing the same ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1982-10-27 EP disclosed
EP-0035268-A1 Chlorinated organic compounds having their resistance to deterioration enhanced by 1,3-dicarbonyl compounds ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1981-09-09 EP disclosed
US-4252698-A A OVERBASED SULFONATE OR PHENOLATE, AND A 1,3-DIKETONE FOR VINYL CHLORIDE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1981-02-24 US disclosed
US-4123399-A B-DIKETONES, A POLYOL, AND AN ORGANO-METALLIC SALT RHONE-POULENC INDUSTRIES (FR) 1978-10-31 US disclosed
US-4123400-A B-DIKETONES, A POLYOL, ORGANO-METALLIC SALTS RHONE-POULENC INDUSTRIES (FR) 1978-10-31 US disclosed