SCHEMBL9533182

SCHEMBL9533182

CC1(COc2ccc([N+](=O)[O-])cc2)CC(=O)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 7/20 0.47
GAA P10253 6/20 0.47
HPGD P15428 3/20 0.47
GLA P06280 3/20 0.47
CASP1 P29466 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CASP7 P55210 1/20 0.47
POLB P06746 1/20 0.45
LPAR1 Q92633 1/20 0.44
LPAR5 Q9H1C0 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44
PLA2G4B P0C869 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SRD5A2 P31213 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9533339 0.91 ALDH1A1 (0.45) ALDH1A1NPC1MAPTRAB9AKDM4E
SCHEMBL9530858 0.85 ALDH1A1 (0.48) ALDH1A1NPC1MAPTRAB9AKDM4E
SCHEMBL9531990 0.83 ALDH1A1 (0.52) ALDH1A1NPC1MAPTRAB9AKDM4E
SCHEMBL9532298 0.81 ALDH1A1 (0.45) ALDH1A1NPC1MAPTRAB9AKDM4E
SCHEMBL9531752 0.81 MAPT (0.48) ALDH1A1NPC1MAPTRAB9AKDM4E
SCHEMBL9631291 0.80 ALDH1A1 (0.48) ALDH1A1NPC1MAPTRAB9AKDM4E
SCHEMBL9632290 0.80 ALDH1A1 (0.44) ALDH1A1NPC1MAPTRAB9AKDM4E
SCHEMBL9531518 0.78 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL9531668 0.78 KDM4E (0.44) ALDH1A1NPC1MAPTRAB9AKDM4E
SCHEMBL9632121 0.77 ALDH1A1 (0.41) ALDH1A1NPC1MAPTRAB9AKDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277836-B1 THIAZOLIDINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE Sankyo Company Limited (JP) 1993-06-02 EP disclosed
EP-0251417-B1 4-(AROYLAMINO) PIPERIDINEBUTANAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-04-14 EP disclosed
US-5137896-A Useful in treatment of gastrointestinal and psychic disorder; analgesic, antiemetic and antiulcer agent JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-11 US disclosed
US-5057525-A Stimulators of gastrointestinal motility JANSSEN PHARMACEUTICA N.V. (BE) 1991-10-15 US disclosed
US-4962115-A Stimulate motility of gastrointestinal system JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-09 US disclosed
US-4873255-A REDUCE BLOOD GLUCOSE AND BLOOD LIPID LEVELS SANKYO COMPANY LIMITED (JP) 1989-10-10 US disclosed
EP-0277836-A1 Thiazolidinone derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-08-10 EP disclosed
EP-0251417-A2 4-(aroylamino) piperidinebutanamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-01-07 EP disclosed
EP-0076530-B1 NOVEL N-(3-HYDROXY-4-PIPERIDINYL)BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-11 EP disclosed