SCHEMBL6667643

SCHEMBL6667643

CC[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
RCOR1 Q9UKL0 1/20 0.37
TSHR P16473 1/20 0.36
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
EPHX2 P34913 2/20 0.35
SPHK1 Q9NYA1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GRM2 Q14416 1/20 0.34
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN9A Q15858 1/20 0.33
NR1H4 Q96RI1 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
SCHEMBL6662710 0.92 ALDH1A1 (0.41) KDM1ARCOR1TSHRSLC6A4SLC6A3
SCHEMBL6666681 0.92 SPHK1 (0.39) SPHK1ALDH1A1
SCHEMBL6665363 0.90 SPHK1 (0.39) KDM1ARCOR1SPHK1ALDH1A1
SCHEMBL6665027 0.89 SPHK1 (0.41) SPHK1ALDH1A1
SCHEMBL6663461 0.88 ESR2 (0.36) KDM1ARCOR1TSHRSLC6A4SLC6A3
SCHEMBL6666566 0.88 SPHK1 (0.43) SPHK1ALDH1A1
SCHEMBL6661286 0.88 SPHK1 (0.43) SPHK1ALDH1A1
SCHEMBL6663965 0.88 SPHK1 (0.43) SPHK1ALDH1A1
SCHEMBL6668737 0.88 SPHK1 (0.43) SPHK1ALDH1A1
SCHEMBL6664060 0.88 SPHK1 (0.43) SPHK1ALDH1A1

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