SCHEMBL4551400

SCHEMBL4551400

Oc1cc(O)cc(C#CC2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.44
▸ FFAR4 Q5NUL3 2/20 0.44
▸ KCNH2 Q12809 1/20 0.41
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ GRM5 P41594 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HAO1 Q9UJM8 4/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ PTGES2 Q9H7Z7 1/20 0.31
▸ PRKD1 Q15139 1/20 0.31

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
SCHEMBL2807377 0.88 FFAR1 (0.39) FFAR1FFAR4KCNH2PDGFRBPDGFRA
SCHEMBL2810796 0.82 KCNH2 (0.47) FFAR1FFAR4KCNH2PDGFRBPDGFRA
SCHEMBL27941324 0.79 KCNH2 (0.45) FFAR1FFAR4KCNH2PDGFRBPDGFRA
SCHEMBL31484811 0.75 FFAR1 (0.38) FFAR1FFAR4KCNH2PDGFRBPDGFRA
SCHEMBL28773586 0.72 FFAR1 (0.51) FFAR1FFAR4HAO1NPC1MAPT
SCHEMBL8752132 0.71 CYP1A2 (0.55) FFAR1FFAR4KCNH2PDGFRBPDGFRA
SCHEMBL11225320 0.71 CYP1A2 (0.55) FFAR1FFAR4KCNH2PDGFRBPDGFRA
SCHEMBL19328864 0.71 FFAR1 (0.47) FFAR1FFAR4KCNH2PDGFRBPDGFRA
SCHEMBL674063 0.69 BACE1 (0.57) CYP1A2NPC1MAPTRAB9ABACE1
SCHEMBL2814718 0.69 TP53 (0.39) FFAR1FFAR4KCNH2PDGFRBPDGFRA

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
WO-2009126700-A1 HYDROXYLATED TOLANS AND RELATED COMPOUNDS AS COSMETICS OR THERAPEUTICS FOR SKIN CONDITIONS KENT STATE UNIVERSITY (US) 2009-10-15 — — WO claimed
WO-2009126700-A1 HYDROXYLATED TOLANS AND RELATED COMPOUNDS AS COSMETICS OR THERAPEUTICS FOR SKIN CONDITIONS KENT STATE UNIVERSITY (US) 2009-10-15 — — WO disclosed
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