SCHEMBL4750637

SCHEMBL4750637

COCCOCOc1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.46
▸ FFAR1 O14842 1/20 0.40
▸ ALOX12 P18054 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ ICMT O60725 2/20 0.38

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
SCHEMBL29996269 0.89 TBXAS1 (0.52) TBXAS1FFAR1ICMT
SCHEMBL2908379 0.89 TBXAS1 (0.52) TBXAS1FFAR1ICMT
SCHEMBL6490663 0.87 TBXAS1 (0.47) TBXAS1FFAR1SMN1; SMN2NR1H4GABRG2
SCHEMBL6089720 0.84 EGFR (0.41) —
SCHEMBL31166643 0.82 TBXAS1 (0.47) TBXAS1FFAR1SMN1; SMN2NR1H4GABRG2
SCHEMBL29513191 0.82 TBXAS1 (0.47) TBXAS1FFAR1SMN1; SMN2NR1H4GABRG2
SCHEMBL20552139 0.82 TBXAS1 (0.55) TBXAS1SMN1; SMN2ICMT
SCHEMBL13645864 0.79 DRD2 (0.50) SMN1; SMN2
SCHEMBL6089644 0.78 APP (0.41) —
SCHEMBL6087766 0.78 CHRNB2 (0.53) GABRG2GABRB3GABRA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008129129-A1 HETEROCYCLIC PHENYL CARBAMATES AS NOVEL FAAH-INHIBITORS KUOPION YLIOPISTO (FI) 2008-10-30 — — WO disclosed
WO-2008129129-A1 HETEROCYCLIC PHENYL CARBAMATES AS NOVEL FAAH-INHIBITORS KUOPION YLIOPISTO (FI) 2008-10-30 — — WO disclosed
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 — — US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 — — EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 — — WO disclosed
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