SCHEMBL8612905

SCHEMBL8612905

CCCCCCCC/C=C\CCCCCCCC(=O)OC(N)(O)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.53
FAAH O00519 2/20 0.51
CNR1 P21554 2/20 0.49
CNR2 P34972 1/20 0.49
SOAT2 O75908 1/20 0.47
SOAT1 P35610 1/20 0.47
PPARA Q07869 3/20 0.45
PPARG P37231 2/20 0.45
TNNC1 P63316 1/20 0.44
ALDH1A1 P00352 2/20 0.43
DUSP3 P51452 1/20 0.43
PTPN7 P35236 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
KLK7 P49862 1/20 0.43
KLK5 Q9Y337 1/20 0.43
KDM4E B2RXH2 1/20 0.43
FFAR1 O14842 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL20564183 0.80 SOAT1 (0.52) EPHX2FAAHCNR1CNR2SOAT2
SCHEMBL21753482 0.78 EPHX2 (0.59) EPHX2FAAHCNR1CNR2SOAT2
SCHEMBL28380918 0.78 EPHX2 (0.59) EPHX2FAAHCNR1CNR2SOAT2
SCHEMBL1259269 0.78 SOAT2 (0.53) EPHX2FAAHCNR1CNR2SOAT2
SCHEMBL28224709 0.77 SOAT1 (0.47) EPHX2FAAHCNR1CNR2SOAT2
SCHEMBL28381856 0.77 EPHX2 (0.58) EPHX2FAAHCNR1CNR2SOAT2
SCHEMBL28191371 0.77 EPHX2 (0.58) EPHX2FAAHCNR1CNR2SOAT2
SCHEMBL28191341 0.77 EPHX2 (0.58) EPHX2FAAHCNR1CNR2SOAT2
SCHEMBL28390634 0.76 EPHX2 (0.57) EPHX2FAAHCNR1CNR2SOAT2
SCHEMBL28381000 0.76 EPHX2 (0.63) EPHX2FAAHCNR1CNR2PPARA

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-5736573-A SALT FORMATION OF A AMINE AND ACID GALAT ALEXANDER (US) 1998-04-07 US disclosed