SCHEMBL8415879

SCHEMBL8415879

COC(=O)c1cccc([C@H]2O[C@@H]2CC/C=C/C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
PPM1B O75688 2/20 0.38
ALDH1A1 P00352 2/20 0.37
ERN1 O75460 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
SLC7A5 Q01650 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL1499484 0.79 LOXL2 (0.48) CACNA1BLOXL2CYP4F2CYP4A11PPM1B
SCHEMBL10374052 0.79 CYP4F2 (0.50) LOXL2CYP4F2CYP4A11PPM1BALDH1A1
SCHEMBL9375934 0.79 CYP4F2 (0.50) LOXL2CYP4F2CYP4A11PPM1BALDH1A1
SCHEMBL9378795 0.79 CYP4F2 (0.50) LOXL2CYP4F2CYP4A11PPM1BALDH1A1
SCHEMBL8416867 0.77 GRM2 (0.52) LOXL2CYP4F2CYP4A11
SCHEMBL9384954 0.77 ERN1 (0.40) LOXL2CYP4F2CYP4A11PPM1BALDH1A1
SCHEMBL9377796 0.77 ERN1 (0.40) LOXL2CYP4F2CYP4A11PPM1BALDH1A1
SCHEMBL8415878 0.75 HCRTR1 (0.43) CACNA1BLOXL2CYP4F2CYP4A11PPM1B
SCHEMBL8415880 0.75 HCRTR1 (0.43) CACNA1BLOXL2CYP4F2CYP4A11PPM1B
SCHEMBL8418720 0.73 LOXL2 (0.44) LOXL2CYP4F2CYP4A11PPM1BALDH1A1

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
US-5990326-A AN ANTIINFLAMMATORY AGENT AS INHIBITORS OF LEUKOTRIENE HYDROLASE G.D. SEARLE & CO. (US) 1999-11-23 US disclosed
EP-0360246-B1 3-Oxiranyl benzoic acids and derivatives thereof SEARLE & CO (US) 1994-03-30 EP disclosed
EP-0360246-A1 3-Oxiranyl benzoic acids and derivatives thereof G.D. Searle & Co. (US) 1990-03-28 EP disclosed