SCHEMBL9632290

SCHEMBL9632290

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MAPT P10636 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NR1H4 Q96RI1 2/20 0.39
KDM4E B2RXH2 6/20 0.37
GAA P10253 5/20 0.37
HPGD P15428 2/20 0.37
CASP1 P29466 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 2/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 1/20 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

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
SCHEMBL9632121 0.92 ALDH1A1 (0.41) ALDH1A1MAPTNPC1RAB9ANR1H4
SCHEMBL9633233 0.89 RECQL (0.37) ALDH1A1MAPTNPC1RAB9ANR1H4
SCHEMBL10640498 0.88 KDM4E (0.39) ALDH1A1NPC1NR1H4KDM4EGAA
SCHEMBL9532298 0.88 ALDH1A1 (0.45) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL9631291 0.87 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9ANR1H4
SCHEMBL9630813 0.81 TLR3 (0.40) ALDH1A1MAPTNPC1RAB9ANR1H4
SCHEMBL10640285 0.81 KDM4E (0.39) ALDH1A1KDM4EGAAHPGDCASP1
SCHEMBL9630958 0.80 KDM4E (0.37) ALDH1A1NPC1KDM4EGAAHPGD
SCHEMBL8193430 0.80 NR1H4 (0.38) ALDH1A1MAPTNPC1RAB9ANR1H4
SCHEMBL9533182 0.80 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9AKDM4E

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 6 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-0139421-B1 THIAZOLIDINE DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1988-04-27 EP disclosed
EP-0207581-A2 Thiazolidine derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP disclosed
US-4572912-A Thiazolidine derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1986-02-25 US disclosed
EP-0139421-A1 Thiazolidine derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1985-05-02 EP disclosed