SCHEMBL5321504

SCHEMBL5321504

CNc1ccc(CCCCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP4A11 Q02928 3/20 0.53
▸ CYP4F2 P78329 2/20 0.53
▸ CA2 P00918 3/20 0.47
▸ SPHK1 Q9NYA1 8/20 0.46
▸ LMNA P02545 1/20 0.42
▸ SPHK2 Q9NRA0 1/20 0.41
▸ GLS O94925 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL1310937 0.88 CYP4A11 (0.47) CYP4A11CYP4F2CA2SPHK1LMNA
SCHEMBL5689956 0.85 CA2 (0.52) CYP4A11CYP4F2CA2
SCHEMBL28326928 0.84 TSHR (0.43) CA2GLSL3MBTL1
SCHEMBL242504 0.82 CA2 (0.61) CYP4A11CYP4F2CA2LMNA
SCHEMBL27496644 0.81 ESR1 (0.55) CA2SPHK1LMNA
SCHEMBL5323615 0.80 SPHK1 (0.50) CYP4A11CYP4F2CA2SPHK1LMNA
SCHEMBL23837668 0.79 CA2 (0.63) CYP4A11CYP4F2CA2LMNA
SCHEMBL31512262 0.79 CA2 (0.63) CYP4A11CYP4F2CA2LMNA
SCHEMBL9670730 0.79 CA2 (0.63) CYP4A11CYP4F2CA2LMNA
SCHEMBL3424786 0.79 CA2 (0.63) CYP4A11CYP4F2CA2LMNA

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-2007095756-A1 NOVEL CENTRAL-NERVOUS SYSTEM ACTING COMPOUNDS AND METHODS FOR THE TREATMENT OF CNS DISORDERS CLERA INC. (CA) 2007-08-30 — — WO disclosed
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