SCHEMBL6663964

SCHEMBL6663964

C=C[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc([C@H]4CC[C@H](CC)CC4)cc3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.30
SPHK2 Q9NRA0 7/20 0.30

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
SCHEMBL6663060 0.92 ALDH1A1 (0.40) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6666723 0.92 HTR2C (0.34) SPHK1
SCHEMBL6666681 0.91 SPHK1 (0.39) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6667312 0.90 SPHK1 (0.39) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6665431 0.90 ALDH1A1 (0.33) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6666317 0.89 SPHK1 (0.40) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6662950 0.89 ESR2 (0.32)
SCHEMBL6664061 0.89 ESR2 (0.32)
SCHEMBL6661099 0.89 ESR2 (0.35) SPHK1
SCHEMBL6665612 0.89 SPHK1 (0.42) SPHK1ALDH1A1LMNAMAPTCYP2C9

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