SCHEMBL6664008

SCHEMBL6664008

CCCC1CCC(c2ccc(C(C)OC(F)(F)c3ccc(C4CCC(C)CC4)cc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR2 Q92731 3/20 0.35
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
HTR2C P28335 2/20 0.31
TRPV3 Q8NET8 1/20 0.30
TACR1 P25103 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
SCHEMBL6665226 1.00 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6667645 0.95 ALDH1A1 (0.46) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6664252 0.92 MAPT (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6662839 0.92 MAPT (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6666930 0.92 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6663330 0.92 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6667955 0.92 ESR2 (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6666560 0.91 MAPT (0.35) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6663434 0.90 ESR2 (0.42) ESR2CACNA1GCACNA1HCACNA1IHTR2C
SCHEMBL6661882 0.90 MAPT (0.42) 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