SCHEMBL6896856

SCHEMBL6896856

CCCC1CCC(c2ccc(OC(=O)c3ccc(OCC)c(F)c3F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.35
ESR2 Q92731 2/20 0.34
ESR1 P03372 1/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
ACACB O00763 1/20 0.33
CRBN Q96SW2 1/20 0.32
KDM1A O60341 2/20 0.32

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
SCHEMBL13025717 0.90 CYP2C9 (0.42) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL7907390 0.87 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL9457329 0.87 RAB9A (0.39) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL9191317 0.87 RAB9A (0.39) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL9292192 0.86 KMT2A (0.36) MAPTKMT2ARAB9AESR2ESR1
SCHEMBL9491245 0.85 ACACB (0.33) CYP2C9MAPTALDH1A1LMNAACACB
SCHEMBL12741551 0.85 MAPT (0.34) CYP2C9MAPTALDH1A1LMNAESR2
SCHEMBL12737946 0.85 MAPT (0.34) CYP2C9MAPTALDH1A1LMNAESR2
SCHEMBL6892105 0.84 CYP2C9 (0.37) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL6892100 0.84 CYP2C9 (0.37) CYP2C9MAPTALDH1A1LMNAKMT2A

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