SCHEMBL8451658

SCHEMBL8451658

CCc1ccc(-c2ccc(C3CCC(C=CCCF)CC3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.33
HDAC2 Q92769 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAOA P21397 2/20 0.30
MAOB P27338 2/20 0.30
POLB P06746 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL8451653 1.00 SPHK1 (0.33) SPHK1HDAC2NPC1RAB9AMAOA
SCHEMBL8451662 1.00 SPHK1 (0.33) SPHK1HDAC2NPC1RAB9AMAOA
SCHEMBL8451648 1.00 SPHK1 (0.33) SPHK1HDAC2NPC1RAB9AMAOA
SCHEMBL8456507 0.96 SPHK1 (0.35) SPHK1HDAC2MAOAMAOBPOLB
SCHEMBL8456505 0.96 SPHK1 (0.35) SPHK1HDAC2MAOAMAOBPOLB
SCHEMBL8456511 0.96 SPHK1 (0.35) SPHK1HDAC2MAOAMAOBPOLB
SCHEMBL8448068 0.92 SPHK1 (0.33) SPHK1HDAC2MAOAMAOBPOLB
SCHEMBL8448077 0.92 SPHK1 (0.33) SPHK1HDAC2MAOAMAOBPOLB
SCHEMBL8454728 0.90 SPHK1 (0.40) SPHK1HDAC2
SCHEMBL8454730 0.90 SPHK1 (0.40) SPHK1HDAC2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed