SCHEMBL6667955

SCHEMBL6667955

CCC1CCC(c2ccc(C(C)OC(F)(F)c3ccc(C4CCC(C)CC4)cc3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
HTR2C P28335 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
TACR1 P25103 1/20 0.30
ACACB O00763 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
SCHEMBL6666693 0.95 ALDH1A1 (0.36) ESR2ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6664008 0.92 ALDH1A1 (0.43) ESR2ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6665226 0.92 ALDH1A1 (0.43) ESR2ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6663434 0.91 ESR2 (0.42) ESR2TRPV3HTR2CTACR1
SCHEMBL6666930 0.91 ALDH1A1 (0.43) ESR2ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6663330 0.91 ALDH1A1 (0.43) ESR2ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6662839 0.89 MAPT (0.36) ESR2ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6664252 0.89 MAPT (0.36) ESR2ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6666560 0.88 MAPT (0.35) ESR2ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6667648 0.87 PDE2A (0.36) ACACB

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