SCHEMBL7912846

SCHEMBL7912846

CCC1CCC(c2ccc(-c3ccc(CCc4ccc(CCF)cc4)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.42
SPHK2 Q9NRA0 7/20 0.37
CYP2C9 P11712 2/20 0.36
ESR2 Q92731 2/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7912841 1.00 SPHK1 (0.42) SPHK1SPHK2CYP2C9ESR2ESR1
SCHEMBL7910123 0.91 SPHK1 (0.42) SPHK1SPHK2CYP2C9ESR2ESR1
SCHEMBL7910129 0.91 SPHK1 (0.42) SPHK1SPHK2CYP2C9ESR2ESR1
SCHEMBL7912870 0.90 SPHK1 (0.49) SPHK1SPHK2
SCHEMBL7912867 0.90 SPHK1 (0.49) SPHK1SPHK2
SCHEMBL7912995 0.89 SPHK1 (0.43) SPHK1SPHK2CYP2C9ESR2ESR1
SCHEMBL7912991 0.89 SPHK1 (0.43) SPHK1SPHK2CYP2C9ESR2ESR1
SCHEMBL7913002 0.89 SPHK1 (0.43) SPHK1SPHK2CYP2C9ESR2ESR1
SCHEMBL7912993 0.89 SPHK1 (0.43) SPHK1SPHK2CYP2C9ESR2ESR1
SCHEMBL7916221 0.87 SPHK1 (0.52) SPHK1SPHK2

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