SCHEMBL7523311

SCHEMBL7523311

C=C[C@H]1CC[C@H]([C@H]2CC[C@H](C=CC3CCC(c4ccc(CCC)cc4)CC3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.43
SPHK2 Q9NRA0 7/20 0.38
THRB P10828 2/20 0.35
HDAC2 Q92769 1/20 0.33

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
SCHEMBL7525923 1.00 SPHK1 (0.43) SPHK1SPHK2THRBHDAC2
SCHEMBL28979495 0.91 SPHK1 (0.49) SPHK1SPHK2THRB
SCHEMBL28979496 0.91 SPHK1 (0.49) SPHK1SPHK2THRB
SCHEMBL8835245 0.88 SPHK1 (0.42) SPHK1SPHK2THRB
SCHEMBL8835252 0.88 SPHK1 (0.42) SPHK1SPHK2THRB
SCHEMBL8078935 0.87 SPHK1 (0.39) SPHK1SPHK2THRB
SCHEMBL8963231 0.86 SPHK1 (0.44) SPHK1SPHK2HDAC2
SCHEMBL8963029 0.84 SPHK1 (0.43) SPHK1SPHK2HDAC2
SCHEMBL9478095 0.84 SPHK1 (0.43) SPHK1SPHK2HDAC2
SCHEMBL9478097 0.84 SPHK1 (0.43) SPHK1SPHK2HDAC2

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-0893421-B1 ALKENYL COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2002-03-06 EP disclosed
US-6231934-B1 Alkenyl compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2001-05-15 US disclosed
EP-0893421-A1 ALKENYL COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORPORATION (JP) 1999-01-27 EP disclosed