SCHEMBL6663060

SCHEMBL6663060

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SPHK1 Q9NYA1 11/20 0.35
SPHK2 Q9NRA0 7/20 0.32
HRH3 Q9Y5N1 1/20 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
SCHEMBL6667312 0.94 SPHK1 (0.39) ALDH1A1LMNAMAPTCYP2C9SPHK1
SCHEMBL6666317 0.93 SPHK1 (0.40) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6663964 0.92 SPHK1 (0.33) ALDH1A1LMNAMAPTCYP2C9SPHK1
SCHEMBL6667555 0.92 SPHK1 (0.42) ALDH1A1LMNAMAPTCYP2C9SPHK1
SCHEMBL6665612 0.92 SPHK1 (0.42) ALDH1A1LMNAMAPTCYP2C9SPHK1
SCHEMBL6665113 0.91 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6667640 0.91 ALDH1A1 (0.47) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6666723 0.91 HTR2C (0.34) SPHK1
SCHEMBL6664061 0.90 ESR2 (0.32)
SCHEMBL6662950 0.90 ESR2 (0.32)

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
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
EP-0893423-A1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORPORATION (JP) 1999-01-27 EP disclosed