SCHEMBL7211635

SCHEMBL7211635

C=C1CCCC(C)CCC2C1CC2(C)C.CCCCCCCC/C=C\CCCCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.43
▸ CNR2 P34972 2/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FTH1 P02794 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ FAAH O00519 1/20 0.31
▸ MGLL Q99685 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
SCHEMBL23352672 0.67 FAAH (0.35) FAAH
Octane SCHEMBL1155481 0.60 TSHR (0.47) MEN1KMT2A
Heptane SCHEMBL8056393 0.58 CYP1A2 (0.50) —
Heptane SCHEMBL27663481 0.58 TSHR (0.44) MEN1KMT2A
SCHEMBL21698564 0.58 FAAH (0.74) CYP3A4PPARAMEN1KMT2ACYP2C9
SCHEMBL22501120 0.58 FAAH (0.74) CYP3A4PPARAMEN1KMT2ACYP2C9
SCHEMBL22654062 0.58 FAAH (0.74) CYP3A4PPARAMEN1KMT2ACYP2C9
SCHEMBL25362976 0.58 FAAH (0.74) CYP3A4PPARAMEN1KMT2ACYP2C9
SCHEMBL23040321 0.58 FAAH (0.74) CYP3A4PPARAMEN1KMT2ACYP2C9
SCHEMBL21366450 0.58 FAAH (0.74) CYP3A4PPARAMEN1KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0909130-B1 PESTICIDE SYNGENTA PARTICIPATIONS AG (CH) 2003-02-26 — — EP disclosed
EP-0909130-A1 PESTICIDE Novartis AG (CH) 1999-04-21 — — EP disclosed
WO-1997042815-A1 PESTICIDE NOVARTIS AG (CH) 1997-11-20 — — WO disclosed
EP-0376888-B1 Pest control CIBA GEIGY AG (CH) 1996-01-03 — — EP disclosed
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