SCHEMBL14549375

SCHEMBL14549375

CCCCC[C@H]1CCC(C)C[C@H]1C(F)(F)CC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.33
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ EPHX1 P07099 1/20 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
SCHEMBL25626868 0.70 ALOX5 (0.37) ALOX5EPHX1
SCHEMBL31122647 0.68 ALOX5 (0.42) ALOX5NOS1NOS2EPHX1
SCHEMBL11903803 0.67 CYP1A2 (0.37) ALOX5NOS1NOS2
SCHEMBL10486372 0.67 EPHX1 (0.48) ALOX5NOS1NOS2EPHX1
SCHEMBL17917632 0.66 — —
SCHEMBL11662768 0.65 EPHX1 (0.52) ALOX5EPHX1
SCHEMBL11659426 0.65 EPHX1 (0.52) ALOX5EPHX1
SCHEMBL5604360 0.65 CYP1A2 (0.43) ALOX5EPHX1
SCHEMBL12166781 0.65 CA1 (0.41) ALOX5
SCHEMBL28083608 0.65 OPRM1 (0.45) ALOX5EPHX1

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
EP-1921078-B1 MULTIKINASE INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-09 — — EP disclosed
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