SCHEMBL8531685

SCHEMBL8531685

CCCCCCc1ccc(/C=C/C#C/C=C/c2ccc(OCCC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
USP2 O75604 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
SLCO1B3 Q9NPD5 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52
AHR P35869 1/20 0.46
THRB P10828 2/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PLA2G4A P47712 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 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
SCHEMBL8531688 1.00 LMNA (0.52) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8527625 0.99 LMNA (0.50) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8527622 0.99 LMNA (0.50) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8528873 0.96 ALDH1A1 (0.52) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8528871 0.96 ALDH1A1 (0.52) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8531564 0.94 AHR (0.48) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8531566 0.94 AHR (0.48) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8527280 0.92 ALDH1A1 (0.48) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8526872 0.92 AHR (0.50) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8526871 0.92 AHR (0.50) LMNAMEN1KMT2AALDH1A1SMN1; 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