SCHEMBL6661207

SCHEMBL6661207

CCCC1CCC(c2ccc(C(F)(F)OC(C)c3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
APP P05067 1/20 0.31
CETP P11597 1/20 0.31
AOC3 Q16853 1/20 0.31
AR P10275 2/20 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
SCHEMBL6667099 0.94 CYP11B1 (0.31) ALDH1A1LMNAMAPTCYP11B1CYP11B2
SCHEMBL6661300 0.89 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL6664039 0.89 CYP2C9 (0.32) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6667692 0.89 CYP11B1 (0.32) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6666944 0.88 ALDH1A1 (0.38) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6661327 0.88 ITGB3 (0.31) CYP11B1CYP11B2AOC3
SCHEMBL6662941 0.88 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6666433 0.86 ALDH1A1 (0.42) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6666660 0.85 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6665747 0.85 CYP11B1 (0.32) CYP11B1CYP11B2APPAR

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