SCHEMBL8531027

SCHEMBL8531027

CCCOc1ccc(/C=C/C#C/C=C/c2ccc(CC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48

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
SCHEMBL8531029 1.00 LMNA (0.54) LMNAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8528696 0.94 SMN1; SMN2 (0.58) LMNAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8528699 0.94 SMN1; SMN2 (0.58) LMNAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8526831 0.89 PTGS1 (0.48) LMNAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8526833 0.89 PTGS1 (0.48) LMNAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8528533 0.87 MAOB (0.58) LMNAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8528532 0.87 MAOB (0.58) LMNAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8531566 0.87 AHR (0.48) LMNAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8531564 0.87 AHR (0.48) LMNAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8527622 0.85 LMNA (0.50) LMNAMAPTALDH1A1HPGDSMN1; 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