SCHEMBL9632700

SCHEMBL9632700

Cc1c(C)c2c(c(C)c1OCC(=O)O)C(=O)CC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PPARG P37231 8/20 0.45
MPC2 O95563 2/20 0.42
CYP2C8 P10632 2/20 0.42
CYP2C9 P11712 2/20 0.42
FFAR1 O14842 9/20 0.41
PPARA Q07869 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
RXRA P19793 1/20 0.39

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
SCHEMBL9631948 0.91 CYP3A4 (0.47) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL9631311 0.91 CYP3A4 (0.46) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL9631307 0.91 CYP3A4 (0.46) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL10640678 0.89 CYP3A4 (0.49) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL9632160 0.89 CYP3A4 (0.45) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL8459669 0.87 MEN1 (0.53) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL9632720 0.86 MEN1 (0.52) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL8201651 0.86 MAPT (0.52) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL9630963 0.85 MCL1 (0.47) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL9530782 0.84 CYP3A4 (0.49) 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