SCHEMBL7912792

SCHEMBL7912792

C=CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(-c4ccc(CCCCCCCF)cc4)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.40
SPHK2 Q9NRA0 7/20 0.36
ESR2 Q92731 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL7912583 0.94 SPHK1 (0.36) SPHK1SPHK2ESR2
SCHEMBL7912579 0.94 SPHK1 (0.36) SPHK1SPHK2ESR2
SCHEMBL9458448 0.86 SPHK1 (0.42) SPHK1SPHK2ESR2
SCHEMBL9458444 0.86 SPHK1 (0.42) SPHK1SPHK2ESR2
SCHEMBL7909912 0.85 SPHK1 (0.34) SPHK1SPHK2ESR2
SCHEMBL7909919 0.85 SPHK1 (0.34) SPHK1SPHK2ESR2
SCHEMBL9480875 0.84 SPHK1 (0.43) SPHK1SPHK2ESR2
SCHEMBL9480882 0.84 SPHK1 (0.43) SPHK1SPHK2ESR2
SCHEMBL7910905 0.83 SPHK1 (0.53) SPHK1SPHK2
SCHEMBL7902403 0.82 SPHK1 (0.56) 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 1 patent. 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