SCHEMBL9632087

SCHEMBL9632087

CC(=O)Oc1cc2c(cc1C(C)(C)CC(C)(C)C)OC(C)(COc1ccc(CC3SC(=N)NC3=O)cc1)CC2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAOB P27338 1/20 0.33
PPARG P37231 9/20 0.32
MPC2 O95563 2/20 0.32
CYP2C8 P10632 2/20 0.32
CYP2C9 P11712 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
FFAR1 O14842 5/20 0.31
RXRA P19793 1/20 0.31

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
SCHEMBL9631974 0.94 CYP3A4 (0.44) CYP3A4ALDH1A1HPGDHSD17B10MEN1
SCHEMBL10639871 0.93 CYP3A4 (0.39) CYP3A4ALDH1A1HPGDHSD17B10MEN1
SCHEMBL10636537 0.84 CYP3A4 (0.42) CYP3A4ALDH1A1HPGDHSD17B10MEN1
SCHEMBL9630752 0.83 CYP3A4 (0.48) CYP3A4ALDH1A1HPGDHSD17B10MEN1
SCHEMBL9630958 0.82 KDM4E (0.37) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL9632033 0.81 CYP3A4 (0.46) CYP3A4ALDH1A1HPGDHSD17B10MEN1
SCHEMBL10642008 0.81 ALDH1A1 (0.44) CYP3A4ALDH1A1HPGDHSD17B10MEN1
SCHEMBL10641821 0.81 KMT2A (0.45) CYP3A4ALDH1A1HPGDHSD17B10MEN1
SCHEMBL9632121 0.80 ALDH1A1 (0.41) CYP3A4ALDH1A1HPGDHSD17B10MEN1
SCHEMBL9630834 0.78 KDM4E (0.37) ALDH1A1HPGDHSD17B10MEN1KMT2A

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