SCHEMBL9631291

SCHEMBL9631291

CC1(COc2ccc([N+](=O)[O-])cc2)CC(=O)c2cc(O)c(C(C)(C)C)cc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
NR1H4 Q96RI1 3/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A1 P04798 1/20 0.42
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36
CASP7 P55210 1/20 0.36
POLB P06746 1/20 0.36
MAOB P27338 2/20 0.35
AKT1 P31749 1/20 0.35
KCNH2 Q12809 1/20 0.35
GALR3 O60755 1/20 0.34

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 0.87 ALDH1A1 (0.44) ALDH1A1MAPTNPC1RAB9ANR1H4
SCHEMBL9531752 0.87 MAPT (0.48) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL9633267 0.82 TLR3 (0.48) ALDH1A1MAPTNPC1RAB9ANR1H4
SCHEMBL9632121 0.81 ALDH1A1 (0.41) ALDH1A1MAPTNPC1RAB9ANR1H4
SCHEMBL8194915 0.80 KMT2A (0.39) ALDH1A1MAPTNPC1RAB9ANR1H4
SCHEMBL9533182 0.80 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL10638727 0.80 CYP1A1 (0.38) ALDH1A1KMT2AMEN1CYP1A1KDM4E
SCHEMBL9530858 0.80 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL9531990 0.79 ALDH1A1 (0.52) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL9632530 0.78 CYP3A4 (0.51) ALDH1A1MAPTKMT2AMEN1HPGD

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