SCHEMBL8775428

SCHEMBL8775428

CCc1ccc(C=Cc2ccc(CCC3CCC(CC)CC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
TUBB1 Q9H4B7 1/20 0.40
MAOB P27338 4/20 0.38
MAOA P21397 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
MYC P01106 1/20 0.33
MAX P61244 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
SCHEMBL8015686 0.90 ALOX5 (0.41) ALOX5PTGS1PTGS2TUBB1MAOB
SCHEMBL8015681 0.90 ALOX5 (0.41) ALOX5PTGS1PTGS2TUBB1MAOB
SCHEMBL8015678 0.90 ALOX5 (0.41) ALOX5PTGS1PTGS2TUBB1MAOB
SCHEMBL8015675 0.90 ALOX5 (0.41) ALOX5PTGS1PTGS2TUBB1MAOB
SCHEMBL16191126 0.90 MAOB (0.44) MAOBMAOATAAR1GPR84
SCHEMBL8775466 0.88 SPHK1 (0.40) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL9476473 0.86 MAOB (0.38) MAOBMAOAGPR84
SCHEMBL9476465 0.86 MAOB (0.38) MAOBMAOAGPR84
SCHEMBL10715707 0.85 MAOB (0.41) MAOBMAOATAAR1GPR84
SCHEMBL8745292 0.83 ALOX5 (0.37) ALOX5PTGS1PTGS2TUBB1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1169138-A Novel liquid crystal compound bearing dienyl moiety and liquid crystal composition CHISSO CORP (JP) 1997-12-31 CN disclosed
EP-0805134-A1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-11-05 EP disclosed