SCHEMBL7916221

SCHEMBL7916221

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.52
SPHK2 Q9NRA0 7/20 0.46
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
DGAT1 O75907 1/20 0.36
RARB P10826 2/20 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
SCHEMBL7912867 0.97 SPHK1 (0.49) SPHK1SPHK2DGAT1
SCHEMBL7912870 0.97 SPHK1 (0.49) SPHK1SPHK2DGAT1
SCHEMBL7902521 0.90 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL7902555 0.90 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL7902518 0.90 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL7902513 0.90 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL7902557 0.90 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL7902559 0.90 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL7910153 0.90 SPHK1 (0.42) SPHK1SPHK2
SCHEMBL7910157 0.90 SPHK1 (0.42) 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