SCHEMBL9458188

SCHEMBL9458188

OC1(c2cccc(Sc3ccc4ccccc4c3)c2)CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.42
OPRL1 P41146 1/20 0.38
HTR1D P28221 1/20 0.37

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
SCHEMBL9458357 0.84 ALOX5 (0.41) ALOX5HTR1D
SCHEMBL9458197 0.81 SLC6A4 (0.35) ALOX5OPRL1
SCHEMBL9458201 0.81 OPRL1 (0.43) ALOX5OPRL1
SCHEMBL9380811 0.80 ALOX5 (0.61) ALOX5
SCHEMBL1598843 0.76 ALOX5 (0.44) ALOX5HTR1D
SCHEMBL1599986 0.76 ALOX5 (0.38) ALOX5HTR1D
SCHEMBL9084952 0.76 MAP2K2 (0.34) ALOX5
SCHEMBL1598884 0.76 RECQL (0.37) ALOX5
SCHEMBL9268618 0.76 ALOX5 (0.42) ALOX5
SCHEMBL9084888 0.75 PTPN11 (0.34) ALOX5

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-5208259-A Lipoxygenase enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES (GB) 1993-05-04 US disclosed
EP-0409413-A2 Diaryl ether heterocycles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-23 EP disclosed