SCHEMBL9633233

SCHEMBL9633233

CC(=O)Oc1cc2c(cc1C(C)(C)C)OC(C)(COc1cc([N+](=O)[O-])ccc1C)CC2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
ALDH1A1 P00352 6/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 4/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A1 P04798 1/20 0.33
GAA P10253 3/20 0.32
HPGD P15428 3/20 0.32
CASP1 P29466 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NR1H4 Q96RI1 3/20 0.32
GLA P06280 1/20 0.32
CASP7 P55210 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL9632290 0.89 ALDH1A1 (0.44) RECQLALDH1A1MAPTNPC1RAB9A
SCHEMBL9632113 0.87 CYP1A1 (0.35) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9632121 0.81 ALDH1A1 (0.41) RECQLALDH1A1MAPTNPC1RAB9A
SCHEMBL9631003 0.80 KDM4E (0.34) ALDH1A1KDM4ESMN1; SMN2CYP1A1GAA
SCHEMBL10640498 0.79 KDM4E (0.39) ALDH1A1NPC1KDM4ESMN1; SMN2CYP1A1
SCHEMBL9532298 0.77 ALDH1A1 (0.45) RECQLALDH1A1MAPTNPC1RAB9A
SCHEMBL9631291 0.76 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL10640285 0.74 KDM4E (0.39) ALDH1A1KDM4ESMN1; SMN2CYP1A1GAA
SCHEMBL10639871 0.72 CYP3A4 (0.39) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL9630958 0.71 KDM4E (0.37) ALDH1A1NPC1KDM4ESMN1; SMN2CYP1A1

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