SCHEMBL8528533

SCHEMBL8528533

CCOc1ccc(C=CC#CC=Cc2ccc(CC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.58
RELA Q04206 1/20 0.54
MAPT P10636 3/20 0.49
ESR1 P03372 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
AHR P35869 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
NQO1 P15559 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 1/20 0.46
PTGS2 P35354 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45

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
SCHEMBL8528532 1.00 MAOB (0.58) MAOBRELAMAPTESR1SMN1; SMN2
SCHEMBL8527794 0.87 RELA (0.51) MAOBRELAMAPTESR1SMN1; SMN2
SCHEMBL8527792 0.87 RELA (0.51) MAOBRELAMAPTESR1SMN1; SMN2
SCHEMBL8531029 0.87 LMNA (0.54) MAOBRELAMAPTSMN1; SMN2ALDH1A1
SCHEMBL8528699 0.87 SMN1; SMN2 (0.58) MAOBMAPTSMN1; SMN2ALDH1A1AHR
SCHEMBL8528696 0.87 SMN1; SMN2 (0.58) MAOBMAPTSMN1; SMN2ALDH1A1AHR
SCHEMBL8531027 0.87 LMNA (0.54) MAOBRELAMAPTSMN1; SMN2ALDH1A1
SCHEMBL8530770 0.85 TUBB1 (0.49) RELAMAPTESR1SMN1; SMN2ALDH1A1
SCHEMBL8530773 0.85 TUBB1 (0.49) RELAMAPTESR1SMN1; SMN2ALDH1A1
SCHEMBL8532493 0.84 RELA (0.49) MAOBRELAMAPTESR1SMN1; SMN2

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-0733610-B1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device CHISSO CORP (JP) 1998-10-28 EP disclosed
US-5635108-A A HEXYNEDIENE DERIVATIVE CHISSO CORPORATION (JP) 1997-06-03 US disclosed
EP-0733610-A1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device Chisso Corporation (JP) 1996-09-25 EP disclosed