SCHEMBL6665221

SCHEMBL6665221

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
SPHK1 Q9NYA1 11/20 0.38
ESR2 Q92731 2/20 0.36
SPHK2 Q9NRA0 7/20 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
SCHEMBL6664002 1.00 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6667640 0.95 ALDH1A1 (0.47) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6662866 0.93 ALDH1A1 (0.45) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6662832 0.92 SPHK1 (0.43) ALDH1A1LMNAMAPTCYP2C9SPHK1
SCHEMBL6664248 0.92 SPHK1 (0.43) ALDH1A1LMNAMAPTCYP2C9SPHK1
SCHEMBL6666928 0.92 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6667951 0.92 ESR2 (0.37) ALDH1A1LMNAMAPTCYP2C9SPHK1
SCHEMBL6663325 0.92 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6663430 0.91 ESR2 (0.42) SPHK1ESR2SPHK2
SCHEMBL6666558 0.91 SPHK1 (0.45) ALDH1A1LMNAMAPTCYP2C9SPHK1

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