SCHEMBL6996489

SCHEMBL6996489

O=CCCCCCCCCCCCCCCC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.54
TBXAS1 P24557 16/20 0.54
TBXA2R P21731 1/20 0.51

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
SCHEMBL31520406 0.86 SIGMAR1 (0.50) SIGMAR1TBXAS1TBXA2R
SCHEMBL8775838 0.84 TBXAS1 (0.75) TBXAS1TBXA2R
SCHEMBL8775831 0.84 TBXAS1 (0.75) TBXAS1TBXA2R
SCHEMBL10471121 0.81 TBXAS1 (0.76) TBXAS1TBXA2R
SCHEMBL7690245 0.81 TBXAS1 (0.76) TBXAS1TBXA2R
SCHEMBL8418666 0.81 TBXAS1 (0.54) SIGMAR1TBXAS1
SCHEMBL1807584 0.81 TBXAS1 (0.54) SIGMAR1TBXAS1TBXA2R
SCHEMBL11229130 0.81 TBXAS1 (0.54) SIGMAR1TBXAS1
SCHEMBL11792681 0.81 TBXAS1 (0.54) SIGMAR1TBXAS1
SCHEMBL7861116 0.81 TBXAS1 (0.54) SIGMAR1TBXAS1

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-1015446-B1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS AVENTIS PHARMA INC (US) 2003-04-02 EP claimed