SCHEMBL6665429

SCHEMBL6665429

CC=CC1CCC(c2ccc(COC(F)(F)Cc3ccc(C4CCC(CCCCCCC)CC4)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.39
SPHK2 Q9NRA0 7/20 0.35
CYP2C9 P11712 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6665459 0.99 SPHK1 (0.37) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL6662312 0.93 SPHK1 (0.36) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL6662299 0.93 SPHK1 (0.36) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL6662310 0.93 SPHK1 (0.36) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL6666302 0.91 CYP2C9 (0.41) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL6660741 0.89 SPHK1 (0.44) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL6665073 0.89 HDAC2 (0.34) SPHK1CYP2C9
SCHEMBL6667560 0.88 SPHK1 (0.39) SPHK1SPHK2CYP2C9MAPTGAA
SCHEMBL6665620 0.88 SPHK1 (0.39) SPHK1SPHK2CYP2C9MAPTGAA
SCHEMBL6666354 0.88 ESR2 (0.33) CYP2C9MAPTALDH1A1LMNAMEN1

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
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed