SCHEMBL6972900

SCHEMBL6972900

Cc1oc(-c2ccccc2)nc1COc1ccccc1C=CC=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.56
CCND1 P24385 2/20 0.56
CCNB2 O95067 1/20 0.54
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNB3 Q8WWL7 1/20 0.54
FFAR1 O14842 1/20 0.51
KDR P35968 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PPARG P37231 5/20 0.47
PPARA Q07869 5/20 0.47
MAPT P10636 4/20 0.45
HPGD P15428 1/20 0.44
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
PPARD Q03181 1/20 0.43

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
SCHEMBL6972899 1.00 CDK4 (0.56) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL6157744 0.90 FFAR1 (0.53) FFAR1KDRKDM4EPTPN2PTPN1
SCHEMBL6962550 0.84 KDR (0.47) CDK4CCND1FFAR1KDRKDM4E
SCHEMBL6962546 0.84 KDR (0.47) CDK4CCND1FFAR1KDRKDM4E
SCHEMBL6968435 0.83 PPARG (0.48) FFAR1KDRKDM4EPPARGPPARA
SCHEMBL6968433 0.83 PPARG (0.48) FFAR1KDRKDM4EPPARGPPARA
SCHEMBL6955816 0.82 FFAR1 (0.61) FFAR1KDRKDM4EPPARGPPARA
SCHEMBL6583241 0.82 TRPA1 (0.48) FFAR1KDRKDM4EPTPN2PTPN1
SCHEMBL6584026 0.82 KDR (0.47) FFAR1KDRKDM4EPTPN2PTPN1
SCHEMBL6584029 0.82 KDR (0.47) FFAR1KDRKDM4EPTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783496-B9 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-03 EP disclosed
EP-0783496-B1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-26 EP disclosed
US-5965589-A AN ACTIVE MATERIAL HAVING HYPOGLYCEMIC ACTIVITY AND BLOOD LIPID LOWERING ACTIVITY, FOR USE AS AN ANTIDIABETIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-12 US disclosed
EP-0783496-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-16 EP disclosed
WO-1996005186-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 WO disclosed