SCHEMBL7909661

SCHEMBL7909661

CCCCCC1CCC(C2CCC(c3ccc(-c4ccc(CCCCCCCF)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.38
RARB P10826 2/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
DGAT1 O75907 1/20 0.35
SPHK2 Q9NRA0 7/20 0.34
GAA P10253 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
SCHEMBL7909665 1.00 SPHK1 (0.38) SPHK1RARBRARARARGDGAT1
SCHEMBL7909658 1.00 SPHK1 (0.38) SPHK1RARBRARARARGDGAT1
SCHEMBL7909657 1.00 SPHK1 (0.38) SPHK1RARBRARARARGDGAT1
SCHEMBL20903897 0.88 SPHK1 (0.43) SPHK1RARBRARARARGSPHK2
SCHEMBL10043319 0.88 SPHK1 (0.43) SPHK1SPHK2MAPT
SCHEMBL10043311 0.87 SPHK1 (0.41) SPHK1SPHK2MAPT
SCHEMBL10043111 0.87 SPHK1 (0.41) SPHK1SPHK2MAPT
SCHEMBL7912697 0.86 HTR2A (0.33) SPHK1DGAT1MAPT
SCHEMBL7912702 0.86 HTR2A (0.33) SPHK1DGAT1MAPT
SCHEMBL7029015 0.85 ESR2 (0.39) SPHK1RARBRARARARGDGAT1

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