SCHEMBL9309038

SCHEMBL9309038

C=CCc1cc(CO)cc(Cl)c1OC(C(=O)OC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.47
PPARG P37231 6/20 0.47
GCGR P47871 1/20 0.40
F9 P00740 1/20 0.39
F10 P00742 1/20 0.39
PLAU P00749 1/20 0.39
EDNRA P25101 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 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
SCHEMBL9126457 0.87 PPARA (0.54) PPARAPPARGGCGRF9F10
SCHEMBL9051395 0.82 GCGR (0.49) PPARAPPARGGCGRF9F10
SCHEMBL9307429 0.77 PPARA (0.53) PPARAPPARG
SCHEMBL9128765 0.77 PPARA (0.53) PPARAPPARGGCGRF9F10
SCHEMBL9063509 0.76 F9 (0.41) PPARAPPARGF9F10PLAU
SCHEMBL9308098 0.76 EDNRB (0.57) EDNRA
SCHEMBL13924239 0.75 ALDH1A1 (0.44) F9F10ALDH1A1KMT2AKDM4E
SCHEMBL4016793 0.74 L3MBTL1 (0.41) PPARAPPARGGCGRF9F10
SCHEMBL9129828 0.73 ALDH1A1 (0.47) PPARAPPARGGCGRF9F10
SCHEMBL9159728 0.71 PPARG (0.50) PPARAPPARG

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
US-5374638-A Cardiovascular disorders, hypotensive agents MERCK & CO., INC. (US) 1994-12-20 US disclosed