SCHEMBL9378795

SCHEMBL9378795

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
TSHR P16473 1/20 0.43
LGALS9 O00182 1/20 0.43
LGALS8 O00214 1/20 0.43
LGALS1 P09382 1/20 0.43
LGALS3 P17931 1/20 0.43
LGALS7; LGALS7B P47929 1/20 0.43
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SLC7A5 Q01650 1/20 0.42
LOX P28300 1/20 0.41
PPM1B O75688 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
SCHEMBL9375934 1.00 CYP4F2 (0.50) CYP4F2CYP4A11LOXL2TSHRLGALS9
SCHEMBL10374052 1.00 CYP4F2 (0.50) CYP4F2CYP4A11LOXL2TSHRLGALS9
SCHEMBL1499484 0.88 LOXL2 (0.48) CYP4F2CYP4A11LOXL2TSHRPOLB
SCHEMBL15298368 0.88 SLC5A2 (0.56)
SCHEMBL10373355 0.81 KMO (0.49) CA12CA1CA2CA9
SCHEMBL8416867 0.81 GRM2 (0.52) CYP4F2CYP4A11LOXL2
SCHEMBL3717973 0.81 CA12 (0.47) CYP4F2CYP4A11LOXL2CA12CA1
SCHEMBL15269494 0.79 SLC5A2 (0.67) CYP4F2CYP4A11
SCHEMBL15269491 0.79 SLC5A2 (0.67) CYP4F2CYP4A11
SCHEMBL8415879 0.79 CACNA1B (0.40) CYP4F2CYP4A11LOXL2TSHRPOLB

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-0335315-B1 New alkanephenones CIBA GEIGY AG (CH) 1994-06-22 EP disclosed
US-5149717-A Alkanophenones useful for treating allergies CIBA-GEIGY CORPORATION (US) 1992-09-22 US disclosed
EP-0335315-A1 New alkanephenones CIBA-GEIGY AG (CH) 1989-10-04 EP disclosed