SCHEMBL7916108

SCHEMBL7916108

CC[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H]3CC[C@H](c4ccc(CCCF)cc4)CC3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.48
SPHK2 Q9NRA0 7/20 0.42
CYP2C9 P11712 2/20 0.35
ESR2 Q92731 2/20 0.35
ESR1 P03372 1/20 0.35
CYP3A4 P08684 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
SCHEMBL7916096 1.00 SPHK1 (0.48) SPHK1SPHK2CYP2C9ESR2ESR1
SCHEMBL7916093 1.00 SPHK1 (0.48) SPHK1SPHK2CYP2C9ESR2ESR1
SCHEMBL7916103 1.00 SPHK1 (0.48) SPHK1SPHK2CYP2C9ESR2ESR1
SCHEMBL7902513 0.96 SPHK1 (0.45) SPHK1SPHK2CYP2C9
SCHEMBL7902518 0.96 SPHK1 (0.45) SPHK1SPHK2CYP2C9
SCHEMBL7902521 0.96 SPHK1 (0.45) SPHK1SPHK2CYP2C9
SCHEMBL7915989 0.92 SPHK1 (0.47) SPHK1SPHK2CYP2C9ESR2
SCHEMBL7915991 0.92 SPHK1 (0.47) SPHK1SPHK2CYP2C9ESR2
SCHEMBL7916000 0.92 SPHK1 (0.47) SPHK1SPHK2CYP2C9ESR2
SCHEMBL7915996 0.92 SPHK1 (0.47) SPHK1SPHK2CYP2C9ESR2

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