SCHEMBL20135918

SCHEMBL20135918

Cc1cc(C)c(COC(=O)O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
NLRP3 Q96P20 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TPMT P51580 1/20 0.37
HCAR1 Q9BXC0 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL6668457 0.85 ALDH1A1 (0.39) KDM4ENLRP3POLBMAPTTDP1
SCHEMBL6669414 0.83 MEN1 (0.44) KDM4ENLRP3TDP1SMN1; SMN2LMNA
Carbamic Acid SCHEMBL28472409 0.82 NQO1 (0.42) KDM4ENLRP3POLBMAPTTDP1
SCHEMBL3290881 0.82 ALDH1A1 (0.42) KDM4ENLRP3MAPTTDP1SMN1; SMN2
SCHEMBL115303 0.82 NQO1 (0.44) KDM4ENLRP3TDP1SMN1; SMN2LMNA
SCHEMBL24984773 0.82 NLRP3 (0.37) KDM4ENLRP3POLBMAPTTDP1
SCHEMBL20135925 0.80 HRH3 (0.38) KDM4ENLRP3POLBMAPTTDP1
SCHEMBL2985917 0.80 KMT2A (0.40) KDM4ENLRP3POLBMAPTSMN1; SMN2
SCHEMBL13534693 0.79 SLC22A12 (0.47) KDM4ESMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6671495 0.79 ELANE (0.38) NLRP3TDP1SMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111825611-B 4(1H) -quinovone derivatives and uses thereof 刘扶东 2022-09-09 CN disclosed
CN-109937197-B Electrochemical process for preparing aryl alkyl carbonates and diaryl carbonates 科思创德国股份有限公司 2022-05-03 CN disclosed
EP-3541778-B1 ELECTROCHEMICAL METHOD FOR THE PRODUCTION OF ARYLALKYLCARBONATES AND DIARYL CARBONATES COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2021-05-19 EP disclosed
EP-3541778-A1 ELECTROCHEMICAL METHOD FOR PRODUCING ARYL ALKYL CARBONATES AND DIARYL CARBONATES Covestro Deutschland AG (DE) 2019-09-25 EP disclosed
CN-109937197-A Electrochemical process for preparing aryl alkyl carbonates and diaryl carbonates 科思创德国股份有限公司 2019-06-25 CN disclosed
WO-2018091370-A1 ELECTROCHEMICAL METHOD FOR PRODUCING ARYL ALKYL CARBONATES AND DIARYL CARBONATES COVESTRO DEUTSCHLAND AG (DE) 2018-05-24 WO disclosed
EP-3321250-A1 ELECTROCHEMICAL METHOD FOR THE PRODUCTION OF ARYLALKYLCARBONATES AND DIARYL CARBONATES Covestro Deutschland AG (DE) 2018-05-16 EP disclosed