SCHEMBL9309991

SCHEMBL9309991

Cn1c(=O)ccc2cc(SOc3cc(F)cc(COCC4CCOCC4)c3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.46
BRPF1 P55201 1/20 0.36
CYP2D6 P10635 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL9308141 0.88 ALOX5 (0.47) ALOX5BRPF1CYP2D6HRH3
SCHEMBL9309515 0.83 SLC6A2 (0.32)
SCHEMBL9310079 0.79 ALOX5 (0.45) ALOX5BRPF1
SCHEMBL9308523 0.76 ALOX5 (0.62) ALOX5CYP2D6HRH3
SCHEMBL9309603 0.72 ALOX5 (0.60) ALOX5CYP2D6HRH3
SCHEMBL9308988 0.70 ALOX5 (0.35) ALOX5CYP2D6
SCHEMBL9309969 0.69 ALOX5 (0.43) ALOX5BRPF1
SCHEMBL9135205 0.69 ALOX5 (0.67) ALOX5CYP2D6HRH3
SCHEMBL9310760 0.67 ALOX5 (0.66) ALOX5
SCHEMBL9389965 0.67 ALOX5 (0.40) ALOX5BRPF1

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
US-5354865-A Enzyme inhibitor and inhibiting the leukotriene biosynthesis ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
WO-1994005281-A1 PHENYLMETHYL DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1994-03-17 WO disclosed