SCHEMBL7909664

SCHEMBL7909664

CC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](CCCF)CC4)cc3F)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.35
ESR2 Q92731 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.32
PDK2 Q15119 1/20 0.32
FASN P49327 1/20 0.32
OPRL1 P41146 2/20 0.30
TRPV3 Q8NET8 1/20 0.30
APP P05067 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
SCHEMBL7909669 1.00 CYP2C9 (0.35) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL7915916 0.92 CYP2C9 (0.44) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL7915918 0.92 CYP2C9 (0.44) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL11115194 0.89 CYP2C9 (0.36) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL11115196 0.89 CYP2C9 (0.36) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL7910796 0.88 CYP3A4 (0.40) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL7910793 0.88 CYP3A4 (0.40) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL7916034 0.87 SPHK1 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7916037 0.87 SPHK1 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7902394 0.86 CYP2C9 (0.41) CYP2C9ESR2ALDH1A1LMNAMAPT

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
US-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed