SCHEMBL9380947

SCHEMBL9380947

C[C@H]1C[C@@](O)(c2cc(F)cc(Sc3ccc(C(C)(C)C)cc3)c2)CCO1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.32
ALOX5 P09917 2/20 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
SCHEMBL9458685 0.85 ALOX5 (0.33) GRIN2BALOX5
SCHEMBL9380130 0.85 ALOX5 (0.33) GRIN2BALOX5
SCHEMBL9458222 0.84 ALOX5 (0.36) GRIN2BALOX5
SCHEMBL9275422 0.84 LMNA (0.40) ALOX5
SCHEMBL9275418 0.84 LMNA (0.40) ALOX5
SCHEMBL9380491 0.83 ALOX5 (0.34) ALOX5
SCHEMBL9380020 0.83 CHRNA1 (0.30)
SCHEMBL9272742 0.82 POLB (0.30)
SCHEMBL9272749 0.82 POLB (0.30)
SCHEMBL9272744 0.82 POLB (0.30)

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-0409413-B1 Diaryl ether heterocycles ICI PLC (GB) 1994-08-03 EP disclosed
US-5208259-A Lipoxygenase enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES (GB) 1993-05-04 US disclosed