SCHEMBL7912857

SCHEMBL7912857

CCCCCCCCCC1CCC(c2ccc(-c3ccc(CCc4ccc(CF)cc4)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.52
SPHK2 Q9NRA0 7/20 0.49
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7912853 1.00 SPHK1 (0.52) SPHK1SPHK2MAPTGAACYP2C9
SCHEMBL10790504 0.92 SPHK1 (0.56) SPHK1SPHK2MAPTGAACYP2C9
SCHEMBL10790492 0.92 SPHK1 (0.56) SPHK1SPHK2MAPTGAACYP2C9
SCHEMBL7909975 0.91 SPHK1 (0.50) SPHK1SPHK2MAPTCYP2C9ALDH1A1
SCHEMBL7909990 0.91 SPHK1 (0.50) SPHK1SPHK2MAPTCYP2C9ALDH1A1
SCHEMBL7909984 0.91 SPHK1 (0.50) SPHK1SPHK2MAPTCYP2C9ALDH1A1
SCHEMBL10900480 0.91 SPHK1 (0.56) SPHK1SPHK2MAPTGAACYP2C9
SCHEMBL10900489 0.91 SPHK1 (0.56) SPHK1SPHK2MAPTGAACYP2C9
SCHEMBL10789507 0.91 SPHK1 (0.55) SPHK1SPHK2MAPTGAACYP2C9
SCHEMBL10789499 0.91 SPHK1 (0.55) SPHK1SPHK2MAPTGAACYP2C9

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