SCHEMBL7912833

SCHEMBL7912833

CCCCCc1ccc(-c2ccc([C@H]3CC[C@H]([C@H]4CC[C@H](CCCCCF)CC4)CC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.54
SPHK2 Q9NRA0 7/20 0.48
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RARB P10826 3/20 0.39

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
SCHEMBL7912819 1.00 SPHK1 (0.54) SPHK1SPHK2TSHRHSD17B10RARB
SCHEMBL7912826 1.00 SPHK1 (0.54) SPHK1SPHK2TSHRHSD17B10RARB
SCHEMBL7910859 0.96 SPHK1 (0.58) SPHK1SPHK2
SCHEMBL7910873 0.96 SPHK1 (0.58) SPHK1SPHK2
SCHEMBL7910867 0.96 SPHK1 (0.58) SPHK1SPHK2
SCHEMBL7910862 0.96 SPHK1 (0.58) SPHK1SPHK2
SCHEMBL7909820 0.95 SPHK1 (0.56) SPHK1SPHK2
SCHEMBL7909825 0.95 SPHK1 (0.56) SPHK1SPHK2
SCHEMBL7911037 0.95 SPHK1 (0.56) SPHK1SPHK2TSHRHSD17B10RARB
SCHEMBL7902403 0.95 SPHK1 (0.56) SPHK1SPHK2TSHRHSD17B10RARB

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-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed