SCHEMBL9630958

SCHEMBL9630958

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.37
ALDH1A1 P00352 15/20 0.37
GAA P10253 12/20 0.37
HPGD P15428 11/20 0.37
GLA P06280 7/20 0.37
CASP1 P29466 6/20 0.37
HSD17B10 Q99714 6/20 0.37
CASP7 P55210 2/20 0.37
CYP1A1 P04798 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
AKT1 P31749 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
MAOB P27338 1/20 0.32
KLK7 P49862 1/20 0.32

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
SCHEMBL10640498 0.91 KDM4E (0.39) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL9632121 0.89 ALDH1A1 (0.41) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL9631974 0.84 CYP3A4 (0.44) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL9630834 0.84 KDM4E (0.37) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL9533181 0.84 KDM4E (0.40) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL9632651 0.83 AKT1 (0.37) AKT1
SCHEMBL9632087 0.82 CYP3A4 (0.37) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL9632290 0.80 ALDH1A1 (0.44) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL9632113 0.80 CYP1A1 (0.35) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL10640285 0.75 KDM4E (0.39) KDM4EALDH1A1GAAHPGDGLA

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