SCHEMBL6662929

SCHEMBL6662929

CCC[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc(F)c(F)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SPHK1 Q9NYA1 3/20 0.33
CNR1 P21554 2/20 0.32
ESR2 Q92731 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL6665829 0.93 SPHK1 (0.39) ALDH1A1LMNAMAPTCYP2C9SPHK1
SCHEMBL6663429 0.90 ALDH1A1 (0.39) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6666429 0.90 ALDH1A1 (0.42) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6667640 0.90 ALDH1A1 (0.47) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6663132 0.89 ALDH1A1 (0.38) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6665306 0.88 CYP2C9 (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6662896 0.88 ALDH1A1 (0.39) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6663200 0.88 CYP2C9 (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6661202 0.88 ALDH1A1 (0.37) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6667608 0.88 SPHK1 (0.39) ALDH1A1LMNAMAPTCYP2C9MEN1

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