SCHEMBL8660907

SCHEMBL8660907

CCc1ccc(CCON2C(=O)SC(Cc3ccccc3)C2=O)nc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.53
CYP3A4 P08684 2/20 0.52
RXRA P19793 1/20 0.52
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HRH3 Q9Y5N1 3/20 0.36
CYP2C9 P11712 2/20 0.36
MPC2 O95563 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
AURKA O14965 1/20 0.33

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
SCHEMBL8472101 0.85 MAPT (0.41) PPARGCYP3A4RXRAKDM4EMAPT
SCHEMBL24363120 0.81 PPARG (0.61) PPARGCYP3A4RXRAKDM4EMAPT
SCHEMBL8664520 0.80 PPARG (0.56) PPARGCYP3A4RXRAKDM4EMAPT
SCHEMBL826836 0.78 PPARG (0.70) PPARGCYP3A4RXRAHRH3CYP2C9
SCHEMBL12074888 0.78 PPARG (0.67) PPARGCYP3A4RXRACYP2C9MPC2
SCHEMBL1054873 0.77 PPARG (0.66) PPARGCYP3A4RXRAHRH3CYP2C9
SCHEMBL18323953 0.77 PPARG (0.66) PPARGCYP3A4RXRAHRH3CYP2C9
SCHEMBL6032172 0.77 MAPT (0.53) PPARGCYP3A4KDM4EMAPTCYP2C9
SCHEMBL4181113 0.76 PPARG (0.65) PPARGCYP3A4RXRAHRH3CYP2C9
SCHEMBL8659791 0.76 MAPT (0.44) PPARGCYP3A4KDM4EMAPTCYP2C9

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
US-5753681-A INSULIN SENSITIZERS SANKYO COMPANY, LIMITED (JP) 1998-05-19 US claimed
US-5824694-A Thiazolidine derivatives for the treatment of psoriasis BETHESDA PHARMACEUTICALS, INC. (US) 1998-10-20 US disclosed
US-5798375-A ADMINISTERING TO THE PATIENT PREVASTATIN A HYDROXY-3-METHYL-GLUTARYL/3-/ COENZYME A REDUCTASE INHIBITOR AND A INSULIN SENSITIZER TROGLITAZONE SANKYO COMPANY, LIMITED (JP) 1998-08-25 US disclosed
US-5753681-A INSULIN SENSITIZERS SANKYO COMPANY, LIMITED (JP) 1998-05-19 US disclosed