SCHEMBL9633318

SCHEMBL9633318

CCCCCCCCC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCc2c(C)c(OC(C)=O)c(C)c(C)c2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PPARG P37231 8/20 0.41
PSEN1 P49768 3/20 0.41
FFAR1 O14842 5/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MPC2 O95563 2/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2C9 P11712 2/20 0.39
PPARA Q07869 2/20 0.38

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
SCHEMBL9630933 0.89 MEN1 (0.47) CYP3A4MEN1KMT2AALDH1A1TP53
SCHEMBL10636475 0.89 MEN1 (0.48) CYP3A4MEN1KMT2AALDH1A1TP53
SCHEMBL5086147 0.84 MEN1 (0.52) CYP3A4MEN1KMT2AALDH1A1TP53
SCHEMBL10641818 0.83 MEN1 (0.50) CYP3A4MEN1KMT2AALDH1A1TP53
SCHEMBL10638986 0.83 CYP3A4 (0.47) CYP3A4MEN1KMT2AALDH1A1TP53
SCHEMBL9631318 0.83 PSEN1 (0.46) MEN1KMT2AMAPTTDP1PSEN1
SCHEMBL9631986 0.80 TTPA (0.46) MEN1KMT2AMAPTPSEN1PDE4A
SCHEMBL9632317 0.80 PSEN1 (0.40) MEN1KMT2AMAPTTDP1PPARG
SCHEMBL4727629 0.80 MEN1 (0.52) CYP3A4MEN1KMT2AALDH1A1TP53
SCHEMBL10642035 0.79 CYP3A4 (0.46) CYP3A4MEN1KMT2AALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62005980-A None JP disclosed
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
JP-S625980-A THIAZOLIDINE DERIVATIVE SANKYO CO LTD 1987-01-12 JP disclosed
EP-0207581-A2 Thiazolidine derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP disclosed