SCHEMBL6662903

SCHEMBL6662903

CCCc1ccc(C(C)OC(F)(F)c2ccc(C3CCC(CCC)CC3)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.37
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TACR1 P25103 1/20 0.32
SPHK1 Q9NYA1 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
SCHEMBL6663047 0.93 SPHK1 (0.35) ALDH1A1LMNAMAPTCYP2C9TACR1
SCHEMBL6662926 0.93 SPHK1 (0.40) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6666710 0.89 SPHK1 (0.40) ALDH1A1LMNAMAPTSPHK1
SCHEMBL6664188 0.88 CYP2C9 (0.33) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6662870 0.84 ALDH1A1 (0.41) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6667745 0.82 SPHK1 (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6662717 0.82 SPHK1 (0.32) SPHK1
SCHEMBL6667379 0.82 OPRL1 (0.30)
SCHEMBL6666433 0.81 ALDH1A1 (0.42) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6663433 0.80 ALDH1A1 (0.38) 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