Sugi Predict

Sugi Predict / Compounds / SCHEMBL7912583

SCHEMBL7912583

SCHEMBL7912583

C=CCCCC1CCC(c2ccc(CCc3ccc(-c4ccc(CCCF)cc4)cc3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 12/20 0.36
▸ ESR2 Q92731 2/20 0.34
▸ SPHK2 Q9NRA0 7/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.31

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
SCHEMBL7912579 1.00 SPHK1 (0.36) SPHK1ESR2SPHK2FFAR4
SCHEMBL7912792 0.94 SPHK1 (0.40) SPHK1ESR2SPHK2
SCHEMBL9458448 0.87 SPHK1 (0.42) SPHK1ESR2SPHK2
SCHEMBL9458444 0.87 SPHK1 (0.42) SPHK1ESR2SPHK2
SCHEMBL7910953 0.85 SPHK1 (0.37) SPHK1ESR2SPHK2
SCHEMBL7910956 0.85 SPHK1 (0.37) SPHK1ESR2SPHK2
SCHEMBL9480875 0.85 SPHK1 (0.43) SPHK1ESR2SPHK2
SCHEMBL9480882 0.85 SPHK1 (0.43) SPHK1ESR2SPHK2
SCHEMBL7910962 0.85 SPHK1 (0.37) SPHK1ESR2SPHK2
SCHEMBL7910950 0.85 SPHK1 (0.37) SPHK1ESR2SPHK2

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