SCHEMBL11216637

SCHEMBL11216637

COC(=O)C(C)(C)c1cc(C#N)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.50
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.40
TMPRSS4 Q9NRS4 2/20 0.40
EGLN1 Q9GZT9 2/20 0.39
P4HB P07237 3/20 0.39
ANO1 Q5XXA6 2/20 0.38
TRPV4 Q9HBA0 1/20 0.38
CXCR2 P25025 3/20 0.38
CXCR1 P25024 2/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
SSTR4 P31391 1/20 0.37

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
SCHEMBL25176277 0.82 PLCG1 (0.48) PLCG1PDK1PDK2PDK3PDK4
SCHEMBL27095790 0.80 ALDH1A1 (0.55) PLCG1CNR2CNR1PDK2PDK4
SCHEMBL11218434 0.78 P4HB (0.39) CNR2TMPRSS4P4HBANO1TRPV4
SCHEMBL27095791 0.78 ALDH1A1 (0.50) CNR2CNR1TMPRSS4
SCHEMBL11703903 0.78 NR1H4 (0.45) PLCG1CNR2CNR1TMPRSS4
SCHEMBL6072565 0.77 VCAM1 (0.48) PLCG1
SCHEMBL5355618 0.77 PLCG1 (0.48) PLCG1CNR2CNR1
SCHEMBL5368308 0.76 ALDH1A1 (0.57) P4HBTRPV4
SCHEMBL29437966 0.76 ALDH1A1 (0.57) P4HBTRPV4
SCHEMBL4700026 0.75 CNR2 (0.50) PLCG1CNR2CNR1EGLN1P4HB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4333759-A Herbicidal 5-cyano-2,3-dihydro-benzofuran-2-ones FISONS LIMITED (GB) 1982-06-08 US disclosed
US-4263037-A 5-Cyano-2,3-dihydrobenzofurans useful as herbicides FISONS LIMITED (GB) 1981-04-21 US disclosed
EP-0007719-A2 Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives FBC LIMITED (GB) 1980-02-06 EP disclosed