SCHEMBL9737786

SCHEMBL9737786

NC(=O)N(O)C1CCc2cc3ccc(OCc4ccccc4)cc3n21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.41
SPHK1 Q9NYA1 1/20 0.40
SRD5A2 P31213 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PARP10 Q53GL7 1/20 0.39
HTR3A P46098 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL2207602 0.79 ALOX5 (0.43) ALOX5SRD5A2HTR3A
SCHEMBL9738046 0.77 ALOX5 (0.45) ALOX5SRD5A2NPC1RAB9AHTR3A
SCHEMBL2019619 0.74 YAP1 (0.41) ALOX5SRD5A2HTR3A
SCHEMBL9215265 0.70 LIPG (0.49)
SCHEMBL9737780 0.70 SRD5A2 (0.47) SRD5A2
SCHEMBL9488819 0.69 FFAR1 (0.51)
SCHEMBL9491758 0.69 MAOA (0.47)
SCHEMBL2018985 0.68 S1PR1 (0.47)
SCHEMBL2021908 0.68 NOTUM (0.55) ALOX5SRD5A2NPC1RAB9A
SCHEMBL9060909 0.68 ALOX5 (0.49) ALOX5NPC1RAB9APARP10KCNH2

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
WO-1992021678-A1 LIPOXYGENASE INHIBITING PYRROLO [1,2a]INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1992-12-10 WO disclosed