SCHEMBL6741920

SCHEMBL6741920

COc1ccc2nn(-c3cc(CC(=O)OCCOCCOCCOC(=O)Cc4ccc(O)c(-n5nc6ccc(OC)cc6n5)c4)ccc3O)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
YWHAG P61981 1/20 0.43
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ALOX5 P09917 1/20 0.35
GFER P55789 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL31361782 1.00 YWHAG (0.43) YWHAGALDH1A1GAAHPGDMAPT
SCHEMBL25407007 0.80 MET (0.41) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL29384278 0.80 MAPT (0.36) YWHAGMAPTSMN1; SMN2LMNANPC1
SCHEMBL106982 0.80 MAPT (0.36) YWHAGMAPTSMN1; SMN2LMNANPC1
SCHEMBL6931467 0.79 NPC1 (0.43) ALDH1A1GAAMAPTSMN1; SMN2LMNA
SCHEMBL14860490 0.76 MAPT (0.36) ALDH1A1GAAHPGDMAPTSMN1; SMN2
SCHEMBL26621818 0.76 AKR1C3 (0.41) MAPTLMNANPC1RAB9AMEN1
SCHEMBL11611470 0.75 NPC1 (0.55) YWHAGALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL22959838 0.74 PTGS1 (0.63) YWHAGALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL6941182 0.73 RAB9A (0.66) ALDH1A1GAAHPGDMAPTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024038853-A1 RESIN COMPOSITION, PELLETS, AND MOLDED ARTICLE 三菱ケミカル株式会社 2024-02-22 WO disclosed
WO-2023214487-A1 RESIN COMPOSITION, MOLDED ARTICLE, AND METHOD FOR PRODUCING RESIN COMPOSITION 三菱ケミカル株式会社 2023-11-09 WO disclosed
US-6762250-B2 TRANSPARENCY, FLUIDITY; CONTAINING POLYSILOXANE HAVING AT LEAST AROMATIC HYDROCARBON FUNCTIONALITY, CARBOXYLIC ACID ESTER AND/OR ETHER LINKAGES AND PHOSPHORIC ESTER GROUP ATTACHMENT MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2004-07-13 US disclosed
US-20040054116-A1 Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION 2004-03-18 US disclosed