SCHEMBL10642008

SCHEMBL10642008

Cc1cc2c(cc1O)C(=O)CC(C)(COc1ccc(CC3SC(=N)NC3=O)cc1)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FFAR1 O14842 5/20 0.39
MAOB P27338 3/20 0.39
PPARA Q07869 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 7/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MPC2 O95563 1/20 0.35
CYP2C8 P10632 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
SCHEMBL10640360 0.92 ALDH1A1 (0.52) ALDH1A1MEN1TP53CYP1A2CYP3A4
SCHEMBL10636537 0.90 CYP3A4 (0.42) ALDH1A1MEN1TP53CYP1A2CYP3A4
SCHEMBL10641821 0.88 KMT2A (0.45) ALDH1A1MEN1TP53CYP1A2CYP3A4
SCHEMBL10641936 0.85 MEN1 (0.46) ALDH1A1MEN1TP53CYP1A2CYP3A4
SCHEMBL10528586 0.83 ALDH1A1 (0.52) ALDH1A1MEN1TP53CYP1A2CYP3A4
SCHEMBL10639871 0.83 CYP3A4 (0.39) ALDH1A1MEN1TP53CYP1A2CYP3A4
SCHEMBL10641709 0.83 PPARG (0.42) ALDH1A1MEN1TP53CYP1A2CYP3A4
SCHEMBL9632530 0.82 CYP3A4 (0.51) ALDH1A1MEN1TP53CYP1A2CYP3A4
SCHEMBL10641884 0.82 MEN1 (0.50) ALDH1A1MEN1TP53CYP1A2CYP3A4
SCHEMBL10640445 0.81 CYP3A4 (0.49) ALDH1A1MEN1TP53CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0139421-B1 THIAZOLIDINE DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1988-04-27 EP disclosed
US-4572912-A Thiazolidine derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1986-02-25 US disclosed
EP-0139421-A1 Thiazolidine derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1985-05-02 EP disclosed