SCHEMBL6662710

SCHEMBL6662710

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
GCGR P47871 1/20 0.37
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
SPHK1 Q9NYA1 3/20 0.36
TSHR P16473 1/20 0.36
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
EPHX2 P34913 1/20 0.35
GRM2 Q14416 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
SCHEMBL6665363 0.94 SPHK1 (0.39) ALDH1A1LMNAMAPTKDM1ARCOR1
SCHEMBL6665027 0.93 SPHK1 (0.41) ALDH1A1LMNAMAPTSPHK1
SCHEMBL6667643 0.92 KDM1A (0.37) ALDH1A1KDM1ARCOR1SPHK1TSHR
SCHEMBL6667640 0.92 ALDH1A1 (0.47) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6663965 0.92 SPHK1 (0.43) ALDH1A1LMNAMAPTSPHK1
SCHEMBL6666566 0.92 SPHK1 (0.43) ALDH1A1LMNAMAPTSPHK1
SCHEMBL6661286 0.92 SPHK1 (0.43) ALDH1A1LMNAMAPTSPHK1
SCHEMBL6664060 0.92 SPHK1 (0.43) ALDH1A1LMNAMAPTSPHK1
SCHEMBL6668737 0.92 SPHK1 (0.43) ALDH1A1LMNAMAPTSPHK1
SCHEMBL6662866 0.90 ALDH1A1 (0.45) 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 2 patents. 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
EP-0893423-A1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORPORATION (JP) 1999-01-27 EP disclosed