SCHEMBL9547754

SCHEMBL9547754

OCCc1ccc(OCc2ccccc2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.62
CYP4A11 Q02928 1/20 0.62
LTA4H P09960 1/20 0.54
EPHX2 P34913 1/20 0.54
MAOB P27338 8/20 0.54
ALOX5 P09917 1/20 0.51
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
GSTP1 P09211 1/20 0.46
POLB P06746 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46

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
SCHEMBL3770492 0.89 MAOB (0.55) CYP4F2CYP4A11LTA4HEPHX2MAOB
SCHEMBL8000947 0.84 CYP4F2 (0.62) CYP4F2CYP4A11LTA4HEPHX2MAOB
SCHEMBL2617306 0.84 CYP4F2 (0.57) CYP4F2CYP4A11LTA4HEPHX2MAOB
SCHEMBL31464117 0.83 CYP4F2 (0.60) CYP4F2CYP4A11LTA4HEPHX2MAOB
SCHEMBL20607853 0.83 CYP4F2 (0.60) CYP4F2CYP4A11LTA4HEPHX2MAOB
SCHEMBL9547844 0.83 CYP4F2 (0.60) CYP4F2CYP4A11LTA4HEPHX2MAOB
SCHEMBL14194528 0.83 ALOX5 (0.53) MAOBALOX5FFAR1FFAR4LMNA
SCHEMBL920101 0.83 MAOB (0.56) LTA4HMAOBALOX5FFAR1FFAR4
SCHEMBL27634848 0.83 ALOX5 (0.53) MAOBALOX5FFAR1FFAR4LMNA
SCHEMBL7446429 0.83 ALOX5 (0.53) LTA4HMAOBALOX5FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288297-B1 OPTICALLY ACTIVE BENZENE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
US-4985590-A Optically active benzene derivatives and process for preparation thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-15 US disclosed
EP-0288297-A2 Optically active benzene derivatives and process for preparation thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-10-26 EP disclosed