SCHEMBL8701027

SCHEMBL8701027

COc1cc(OCc2ccc(-n3ccnc3C)cc2)c(F)c(C2CC(OC)CCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.46
MCHR1 Q99705 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRM5 P41594 1/20 0.33
CSF1R P07333 6/20 0.32
NR3C2 P08235 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL8701075 0.92 ALOX5 (0.49) ALOX5MCHR1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8700999 0.91 ALOX5 (0.48) ALOX5MCHR1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8697471 0.91 ALOX5 (0.44) ALOX5MCHR1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8696302 0.88 ALOX5 (0.48) ALOX5MCHR1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8701045 0.85 ALOX5 (0.47) ALOX5MCHR1CYP1A2CYP3A4CYP2D6
SCHEMBL8698238 0.84 ALOX5 (0.44) ALOX5MCHR1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8694723 0.82 ALOX5 (0.41) ALOX5MCHR1CYP1A2CYP3A4CYP2D6
SCHEMBL8694707 0.81 ALOX5 (0.44) ALOX5MCHR1CYP1A2CYP3A4CYP2D6
SCHEMBL8698136 0.81 ALOX5 (0.56) ALOX5MCHR1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8695817 0.80 ALOX5 (0.55) ALOX5MCHR1CYP1A2CYP3A4CYP2D6

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-5753682-A Imidazole lipoxygenase inhibitors PFIZER INC. (US) 1998-05-19 US disclosed