SCHEMBL8745231

SCHEMBL8745231

CCCc1ccc(C=CCCC2CCC(CC)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
TNNC1 P63316 1/20 0.41
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
ACACB O00763 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KLF5 Q13887 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR183 P32249 1/20 0.31
THRB P10828 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
SCHEMBL8747230 0.96 MAOA (0.39) MAOBMAOATNNC1ITGB3ITGA2B
SCHEMBL8745290 0.93 MAOB (0.43) MAOBMAOATNNC1ITGB3ITGA2B
SCHEMBL8745621 0.90 TNNC1 (0.47) TNNC1HTR2AHTR2CLPLLIPG
SCHEMBL8745253 0.89 MAOA (0.40) MAOBMAOATNNC1ITGB3ITGA2B
SCHEMBL8745255 0.89 TNNC1 (0.48) MAOBMAOATNNC1ITGB3ITGA2B
SCHEMBL8745292 0.88 ALOX5 (0.37) MAOBMAOATNNC1ITGB3ITGA2B
SCHEMBL8745277 0.87 TNNC1 (0.44) TNNC1HTR2AHTR2CKDM4EALDH1A1
SCHEMBL8745203 0.85 TNNC1 (0.45) MAOBMAOATNNC1ITGB3ITGA2B
SCHEMBL8745334 0.84 ALOX5 (0.35) TNNC1KDM4EHPGDSMN1; SMN2
SCHEMBL8747219 0.83 TNNC1 (0.48) TNNC1HTR2AHTR2CLPLLIPG

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