SCHEMBL9035770

SCHEMBL9035770

COC1CC(c2cccc(OCc3ccc(-n4ccnc4C)cc3)c2)CCO1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.45
GRM5 P41594 1/20 0.41
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35
ICMT O60725 1/20 0.35
ADRA1A P35348 1/20 0.34
MCHR1 Q99705 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL7802549 0.76 ALOX5 (0.55) ALOX5GRM5CYP1A2CYP3A4CYP2D6
SCHEMBL10382761 0.74 DRD2 (0.39) CYP3A4CYP2D6CYP2C19ADRA1A
SCHEMBL8698136 0.74 ALOX5 (0.56) ALOX5GRM5CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8695817 0.73 ALOX5 (0.55) ALOX5GRM5CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8701045 0.71 ALOX5 (0.47) ALOX5GRM5CYP1A2CYP3A4CYP2D6
SCHEMBL8700427 0.71 ALOX5 (0.50) ALOX5
SCHEMBL8696022 0.70 ALOX5 (0.77) ALOX5
SCHEMBL8702203 0.70 ALOX5 (0.57) ALOX5GRM5CYP1A2CYP3A4CYP2D6
SCHEMBL6026185 0.69 DRD2 (0.43) CYP3A4
SCHEMBL8694707 0.69 ALOX5 (0.44) ALOX5GRM5CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703913-A1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER (US) 1996-04-03 EP disclosed
WO-1994029299-A1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-12-22 WO disclosed