SCHEMBL8745292

SCHEMBL8745292

CCc1ccc(C=CCCC2CCC(CC)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
TUBB1 Q9H4B7 1/20 0.36
TNNC1 P63316 1/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
IGF1R P08069 1/20 0.33

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
SCHEMBL8745334 0.96 ALOX5 (0.35) ALOX5PTGS1PTGS2TUBB1TNNC1
SCHEMBL8745194 0.91 TNNC1 (0.37) ALOX5PTGS1PTGS2TUBB1TNNC1
SCHEMBL8745231 0.88 MAOB (0.42) TNNC1SMN1; SMN2KDM4EHPGDMAOA
SCHEMBL8745257 0.87 TNNC1 (0.35) ALOX5PTGS1PTGS2TUBB1TNNC1
SCHEMBL8745311 0.87 TNNC1 (0.43) ALOX5PTGS1PTGS2TUBB1TNNC1
SCHEMBL8745185 0.84 NFE2L2 (0.38) MAOAMAOBSIGMAR1
SCHEMBL8747230 0.84 MAOA (0.39) TNNC1MAOAMAOBITGB3ITGA2B
SCHEMBL8745621 0.84 TNNC1 (0.47) PTGS1PTGS2TNNC1LMNAKDM4E
SCHEMBL8745282 0.83 TNNC1 (0.41) ALOX5PTGS1PTGS2TUBB1TNNC1
SCHEMBL8775428 0.83 ALOX5 (0.41) ALOX5PTGS1PTGS2TUBB1LMNA

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