SCHEMBL23809782

SCHEMBL23809782

COC(=O)C(Cc1cccc(Cl)c1)Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 5/20 0.47
PPARG P37231 7/20 0.46
PPARA Q07869 7/20 0.46
PNMT P11086 1/20 0.44
PTPN1 P18031 1/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.43
OGG1 O15527 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 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
SCHEMBL19912668 1.00 HTRA1 (0.47) HTRA1PPARGPPARAPNMTPTPN1
SCHEMBL19803711 0.89 PPARA (0.56) HTRA1PPARGPPARAPTPN1
SCHEMBL19912667 0.89 PPARA (0.56) HTRA1PPARGPPARAPTPN1
SCHEMBL19899295 0.85 PPARA (0.62) PPARGPPARA
SCHEMBL19803593 0.85 PPARA (0.62) PPARGPPARA
SCHEMBL21882677 0.83 MEN1 (0.46) PPARGPPARAPTPN1MAPTMAPK1
SCHEMBL15446256 0.82 PNMT (0.51) PPARGPPARAPNMTMAPTMAPK1
SCHEMBL21016946 0.81 HTRA1 (0.53) HTRA1PPARGPPARAPTPN1MRGPRX4
SCHEMBL19803698 0.80 PPARA (0.46) HTRA1PPARGPPARAPNMTMRGPRX4
SCHEMBL21016630 0.80 PPARA (0.56) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484859-B1 NEW DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-09-15 EP disclosed