SCHEMBL9000000

SCHEMBL9000000

COC(=O)[C@@H]1C(=O)CC[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
HIF1A Q16665 1/20 0.45
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM3 P20309 1/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL8999992 1.00 CYP1A2 (0.45) CYP1A2HIF1APPM1BPTPN1PPP1CC
SCHEMBL8999987 1.00 CYP1A2 (0.45) CYP1A2HIF1APPM1BPTPN1PPP1CC
SCHEMBL8020205 0.89 CYP1A2 (0.43) CYP1A2HIF1AALDH1A1CHRM2CHRM4
SCHEMBL7718731 0.89 CYP1A2 (0.43) CYP1A2HIF1AALDH1A1CHRM2CHRM4
SCHEMBL8020201 0.89 CYP1A2 (0.43) CYP1A2HIF1AALDH1A1CHRM2CHRM4
SCHEMBL7199227 0.87 CYP1A2 (0.42) CYP1A2HIF1AALDH1A1CHRM2CHRM4
SCHEMBL3974808 0.78 CYP1A2 (0.41) CYP1A2HIF1AALDH1A1CHRM2CHRM4
SCHEMBL3301366 0.78 CYP1A2 (0.46) CYP1A2HIF1AALDH1A1KMT2AKDM4E
SCHEMBL29807013 0.77 ALDH1A1 (0.46) CYP1A2HIF1AALDH1A1KMT2ATSHR
SCHEMBL9122696 0.77 ALDH1A1 (0.46) CYP1A2HIF1AALDH1A1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8231469-A None JP disclosed
JP-H08231469-A CYCLOPENTANECARBOXYLIC ACID DERIVATIVE AND ITS PRODUCTION NIPPON KAYAKU CO LTD 1996-09-10 JP disclosed