SCHEMBL7916037

SCHEMBL7916037

CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCCCCF)CC4)cc3F)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 8/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
S1PR3 Q99500 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SPHK2 Q9NRA0 4/20 0.33
S1PR1 P21453 4/20 0.33
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL7916034 1.00 SPHK1 (0.37) SPHK1MAPTGAACYP2C9CYP3A4
SCHEMBL11117176 0.95 SPHK1 (0.40) SPHK1MAPTGAACYP2C9CYP3A4
SCHEMBL11117177 0.95 SPHK1 (0.40) SPHK1MAPTGAACYP2C9CYP3A4
SCHEMBL11117880 0.93 CYP2C9 (0.40) SPHK1MAPTGAACYP2C9CYP3A4
SCHEMBL11117883 0.93 CYP2C9 (0.40) SPHK1MAPTGAACYP2C9CYP3A4
SCHEMBL7912787 0.93 CYP3A4 (0.40) SPHK1MAPTGAACYP2C9CYP3A4
SCHEMBL7910989 0.93 CYP3A4 (0.40) SPHK1MAPTGAACYP2C9CYP3A4
SCHEMBL7910986 0.93 CYP3A4 (0.40) SPHK1MAPTGAACYP2C9CYP3A4
SCHEMBL7912781 0.93 CYP3A4 (0.40) SPHK1MAPTGAACYP2C9CYP3A4
SCHEMBL9250291 0.91 CYP2C9 (0.37) SPHK1MAPTGAACYP2C9CYP3A4

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