SCHEMBL9632271

SCHEMBL9632271

COCCOC(=O)COc1c(C)c(C)c2c(c1C)C(O)CC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 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
PPARG P37231 11/20 0.41
MPC2 O95563 2/20 0.41
CYP2C8 P10632 2/20 0.41
CYP2C9 P11712 2/20 0.41
RXRA P19793 1/20 0.39
FFAR1 O14842 6/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PPARA Q07869 1/20 0.37

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
SCHEMBL9632177 0.87 MEN1 (0.48) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL9632160 0.86 CYP3A4 (0.45) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL10636395 0.86 CYP3A4 (0.49) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL10373285 0.84 CYP3A4 (0.42) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL10373284 0.84 CYP3A4 (0.42) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL9632215 0.84 MAPT (0.53) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL8205210 0.82 MAPT (0.52) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL9630760 0.82 CYP3A4 (0.45) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL9631948 0.79 CYP3A4 (0.47) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL10636080 0.78 CYP3A4 (0.48) CYP3A4MEN1ALDH1A1TP53CYP1A2

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
US-5104888-A Anticholesterol or antidiabetic agents SANKYO COMPANY, LIMITED (JP) 1992-04-14 US disclosed
EP-0207581-B1 THIAZOLIDINE DERIVATIVES, THEIR PREPARATION AND USE SANKYO COMPANY LIMITED (JP) 1990-09-12 EP disclosed
EP-0207581-A2 Thiazolidine derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP disclosed