SCHEMBL8747211

SCHEMBL8747211

CCCCCC1CCC(C2CCC(CCC=Cc3ccc(C#N)c(F)c3)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
AR P10275 2/20 0.31
KDM1A O60341 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL8747225 0.92 AR (0.32) ARTRPV4CYP11B1CYP11B2DRD2
SCHEMBL8745308 0.90 AR (0.32) ARTRPV4CYP11B1CYP11B2DRD2
SCHEMBL8745176 0.87 NFE2L2 (0.36) MAPTATM
SCHEMBL8745260 0.83 NFE2L2 (0.39) MAPTATM
SCHEMBL8745188 0.82 PKM (0.30)
SCHEMBL8745261 0.81 TNNC1 (0.36) MAPTDRD2DRD3
SCHEMBL9139977 0.80 EPHX2 (0.34) MAPTATM
SCHEMBL8745378 0.79 CYP2C9 (0.34) MAPTARKDM1ATRPV4
SCHEMBL10345350 0.79 DAO (0.40) ARKDM1ATRPV4
SCHEMBL9620711 0.79 DAO (0.40) ARKDM1ATRPV4

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
EP-0563981-B1 Cis-1,4-substituted 2-butene derivative CHISSO CORP (JP) 1997-01-22 EP disclosed
US-5401434-A Cis-1,4-substituted 2-butene derivative CHISSO CORPORATION (JP) 1995-03-28 US disclosed
EP-0563981-A2 Cis-1,4-substituted 2-butene derivative Chisso Corporation (JP) 1993-10-06 EP disclosed