SCHEMBL8527792

SCHEMBL8527792

CCCc1ccc(/C=C/C#C/C=C/c2ccc(OCC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.51
ESR1 P03372 2/20 0.46
AHR P35869 1/20 0.46
MAOB P27338 4/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS2 P35354 1/20 0.44
NQO1 P15559 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43

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
SCHEMBL8527794 1.00 RELA (0.51) RELAESR1AHRMAOBNPC1
SCHEMBL8532491 0.91 RELA (0.49) RELAESR1AHRMAOBNPC1
SCHEMBL8532493 0.91 RELA (0.49) RELAESR1AHRMAOBNPC1
SCHEMBL8531310 0.90 MAPT (0.50) RELAESR1AHRMAOBNPC1
SCHEMBL8531313 0.90 MAPT (0.50) RELAESR1AHRMAOBNPC1
SCHEMBL8528365 0.89 AHR (0.50) AHRMAPTSMN1; SMN2THRBKDM4E
SCHEMBL8528367 0.89 AHR (0.50) AHRMAPTSMN1; SMN2THRBKDM4E
SCHEMBL8526831 0.89 PTGS1 (0.48) AHRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8526833 0.89 PTGS1 (0.48) AHRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8531315 0.88 MAPT (0.49) RELAESR1AHRMAOBRAB9A

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