SCHEMBL6667653

SCHEMBL6667653

CCC1CCC(c2ccc(COC(F)(F)Cc3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
RCOR1 Q9UKL0 1/20 0.39
TSHR P16473 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GRM2 Q14416 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 1/20 0.34
ESR2 Q92731 1/20 0.34
AR P10275 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
EPHX2 P34913 2/20 0.33
GPR39 O43194 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL6666697 0.91 ESR2 (0.40) CARM1PRMT6ALDH1A1ESR2
SCHEMBL6665374 0.90 KDM1A (0.37) KDM1ARCOR1TSHRCARM1PRMT6
SCHEMBL6663473 0.89 ESR2 (0.41) KDM1ARCOR1TSHRCARM1PRMT6
SCHEMBL6665035 0.89 SPHK1 (0.38) KDM1ARCOR1TSHRCARM1PRMT6
SCHEMBL6661293 0.88 SPHK1 (0.40) KDM1ARCOR1TSHRCARM1PRMT6
SCHEMBL6668744 0.88 SPHK1 (0.40) KDM1ARCOR1TSHRCARM1PRMT6
SCHEMBL6664070 0.88 SPHK1 (0.40) KDM1ARCOR1TSHRCARM1PRMT6
SCHEMBL6666573 0.88 SPHK1 (0.40) KDM1ARCOR1TSHRCARM1PRMT6
SCHEMBL6663972 0.88 SPHK1 (0.40) KDM1ARCOR1TSHRCARM1PRMT6
SCHEMBL9062385 0.87 KDM1A (0.48) KDM1ARCOR1TSHRALDH1A1L3MBTL1

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