SCHEMBL7724273

SCHEMBL7724273

CCC[C@H]1CC[C@H](C=Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.53
ALDH1A1 P00352 1/20 0.36
FBP1 P09467 1/20 0.36
HDAC2 Q92769 1/20 0.35
MAOA P21397 2/20 0.35
CYP2A6 P11509 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL7724276 1.00 MAOB (0.53) MAOBALDH1A1FBP1HDAC2MAOA
SCHEMBL7729423 1.00 MAOB (0.53) MAOBALDH1A1FBP1HDAC2MAOA
SCHEMBL7724272 1.00 MAOB (0.53) MAOBALDH1A1FBP1HDAC2MAOA
SCHEMBL10832218 0.99 MAOB (0.52) MAOBALDH1A1FBP1HDAC2MAOA
SCHEMBL10832213 0.99 MAOB (0.52) MAOBALDH1A1FBP1HDAC2MAOA
SCHEMBL10832215 0.99 MAOB (0.52) MAOBALDH1A1FBP1HDAC2MAOA
SCHEMBL10832223 0.99 MAOB (0.52) MAOBALDH1A1FBP1HDAC2MAOA
SCHEMBL8452967 0.83 MAOB (0.51) MAOBALDH1A1FBP1HDAC2MAOA
SCHEMBL8452973 0.83 MAOB (0.51) MAOBALDH1A1FBP1HDAC2MAOA
SCHEMBL8745642 0.83 MAOB (0.41) MAOBALDH1A1FBP1HDAC2MAOA

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
US-6337034-B1 COMPOUNDS HAVING WIDE TEMPERATURE RANGE OF LIQUID CRYSTAL PHASE, LOW VISCOSITY, LOW THRESHOLD VOLTAGE AND EXCELLENT STABILITY, WHICH ARE READILY MIXED WITH VARIOUS LIQUID CRYSTAL MATERIALS AND GOOD IN SOLUBILITY AT LOW TEMPERATURE CHISSO CORPORATION (JP) 2002-01-08 US disclosed
EP-0885875-A1 VINYLENE COMPOUNDS AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1998-12-23 EP disclosed