SCHEMBL9632121

SCHEMBL9632121

CC(=O)Oc1cc2c(cc1C(C)(C)CC(C)(C)C)OC(C)(COc1ccc([N+](=O)[O-])cc1)CC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
GAA P10253 5/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 2/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL9632290 0.92 ALDH1A1 (0.44) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL9630958 0.89 KDM4E (0.37) ALDH1A1NPC1KDM4ESMN1; SMN2GAA
SCHEMBL9532298 0.85 ALDH1A1 (0.45) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL9632256 0.83 TLR3 (0.46) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL9631974 0.82 CYP3A4 (0.44) ALDH1A1MAPTHPGDHSD17B10KMT2A
SCHEMBL9630834 0.82 KDM4E (0.37) ALDH1A1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL9633233 0.81 RECQL (0.37) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL9631291 0.81 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL10640498 0.80 KDM4E (0.39) ALDH1A1NPC1KDM4ESMN1; SMN2GAA
SCHEMBL9632087 0.80 CYP3A4 (0.37) ALDH1A1MAPTKDM4EGAAHPGD

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