SCHEMBL6892100

SCHEMBL6892100

CCC[C@H]1CC[C@H](c2ccc(OC(=O)c3ccc(OCC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
CAMKK1 Q8N5S9 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
OPRL1 P41146 6/20 0.32
CNR2 P34972 2/20 0.32
SCN9A Q15858 2/20 0.32
CNR1 P21554 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL6892105 1.00 CYP2C9 (0.37) CYP2C9ALDH1A1MAPTLMNACAMKK1
SCHEMBL15381827 0.92 CAMKK1 (0.37) CYP2C9ALDH1A1MAPTLMNACAMKK1
SCHEMBL15381752 0.92 CAMKK1 (0.37) CYP2C9ALDH1A1MAPTLMNACAMKK1
SCHEMBL12737594 0.90 CYP2C9 (0.36) CYP2C9ALDH1A1MAPTLMNACAMKK1
SCHEMBL12741056 0.90 CYP2C9 (0.36) CYP2C9ALDH1A1MAPTLMNACAMKK1
SCHEMBL15381786 0.89 SCN9A (0.36) CYP2C9ALDH1A1MAPTLMNACAMKK1
SCHEMBL15381832 0.89 SCN9A (0.36) CYP2C9ALDH1A1MAPTLMNACAMKK1
SCHEMBL15381615 0.88 SCN9A (0.41) CYP2C9LMNACAMKK1CAMKK2MEN1
SCHEMBL15381613 0.88 SCN9A (0.41) CYP2C9LMNACAMKK1CAMKK2MEN1
SCHEMBL12737946 0.88 MAPT (0.34) CYP2C9ALDH1A1MAPTLMNACAMKK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081123-B1 2,3-Difluorophenyl derivative having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORP (JP) 2004-03-03 EP disclosed
US-6548126-B1 Reduced electric power consumption and decreased leakage of electromagnetic waves CHISSO CORPORATION (JP) 2003-04-15 US disclosed
EP-1081123-A2 2,3-Difluorophenyl derivative having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2001-03-07 EP disclosed