SCHEMBL6663434

SCHEMBL6663434

CC1CCC(c2ccc(C(C)OC(F)(F)c3ccc(C4CCC(C)CC4)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
HTR2C P28335 2/20 0.36
TACR1 P25103 5/20 0.32
NAAA Q02083 1/20 0.32
LIPE Q05469 1/20 0.32
KCNH2 Q12809 1/20 0.31
APP P05067 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
TRPV3 Q8NET8 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
SCHEMBL6663467 0.91 ESR2 (0.36) ESR2KCNH2
SCHEMBL6667955 0.91 ESR2 (0.36) ESR2HTR2CTACR1TRPV3
SCHEMBL6661104 0.90 ESR2 (0.35) ESR2HTR2CTACR1
SCHEMBL6664008 0.90 ALDH1A1 (0.43) ESR2HTR2CTACR1CACNA1GCACNA1H
SCHEMBL6665226 0.90 ALDH1A1 (0.43) ESR2HTR2CTACR1CACNA1GCACNA1H
SCHEMBL6662817 0.89 ESR2 (0.35) ESR2HTR2CTACR1
SCHEMBL6662839 0.87 MAPT (0.36) ESR2
SCHEMBL6664252 0.87 MAPT (0.36) ESR2
SCHEMBL6665640 0.86 ESR2 (0.33) ESR2
SCHEMBL6666560 0.86 MAPT (0.35) ESR2

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