SCHEMBL9631390

SCHEMBL9631390

Cc1c(C)c2c(c(C)c1O)C(=O)CC(C)(COc1ccc(CC3SC(=O)N(CC(=O)O)C3=O)cc1)O2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
PPARG P37231 6/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL9632578 0.91 MCL1 (0.45) MCL1PPARGMEN1KMT2AMAPT
SCHEMBL9632584 0.91 MCL1 (0.45) MCL1PPARGMEN1KMT2AMAPT
SCHEMBL9633228 0.90 PPARG (0.44) MCL1PPARGMEN1KMT2AMAPT
SCHEMBL9630963 0.90 MCL1 (0.47) MCL1PPARGMEN1KMT2AMAPT
SCHEMBL9632239 0.86 MEN1 (0.55) MCL1PPARGMEN1KMT2AMAPT
SCHEMBL9631379 0.82 PPARG (0.42) MCL1PPARGMEN1KMT2AMAPT
SCHEMBL9631382 0.82 PPARG (0.42) MCL1PPARGMEN1KMT2AMAPT
SCHEMBL8459669 0.82 MEN1 (0.53) PPARGMEN1KMT2AMAPTTDP1
SCHEMBL9633298 0.82 MCL1 (0.43) MCL1PPARGMEN1KMT2AMAPT
SCHEMBL9633292 0.82 MCL1 (0.43) MCL1PPARGMEN1KMT2AMAPT

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 2 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