SCHEMBL6665149

SCHEMBL6665149

CCCC1CCC(c2ccc(C(F)(F)OC(C)c3ccc(OC(F)F)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
ACACB O00763 5/20 0.32
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
ESR2 Q92731 1/20 0.30
DRD2 P14416 1/20 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
SCHEMBL6663457 0.93 IDO1 (0.38) ALDH1A1LMNAMAPTIDO1CYP2C9
SCHEMBL6667645 0.91 ALDH1A1 (0.46) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6662713 0.88 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6663330 0.88 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6666930 0.88 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6665226 0.87 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6664008 0.87 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6661882 0.86 MAPT (0.42) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6667373 0.86 MAPT (0.42) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7730027 0.85 MAPT (0.43) ALDH1A1LMNAMAPTIDO1CYP2C9

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