SCHEMBL8464978

SCHEMBL8464978

CCCC1CCC(c2ccc(F)c(F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.51
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
ESR2 Q92731 3/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
USP30 Q70CQ3 1/20 0.36
OPRL1 P41146 1/20 0.35
USP5 P45974 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ESR1 P03372 1/20 0.35
CYP3A4 P08684 1/20 0.35
HCRTR2 O43614 2/20 0.35
DRD2 P14416 2/20 0.35
CCR2 P41597 1/20 0.35

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
SCHEMBL10601806 1.00 CYP2C9 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7594396 0.98 CYP2C9 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7507561 0.98 CYP2C9 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8452476 0.98 CYP2C9 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL548068 0.95 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL548069 0.95 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12314616 0.95 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9499838 0.95 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL548067 0.95 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8939457 0.94 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150376501-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING SAME DIC CORPORATION (JP) 2015-12-31 US disclosed
US-20150376501-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING SAME DIC CORPORATION (JP) 2015-12-31 US disclosed
US-20150252263-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-09-10 US disclosed
US-20150252263-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-09-10 US disclosed
EP-1116770-B1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY USING THE SAME DAINIPPON INK & CHEMICALS (JP) 2008-04-02 EP disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
EP-0675187-B1 Liquid crystalline compounds and liquid crystal composition CHISSO CORP (JP) 1999-09-15 EP disclosed
EP-0675187-A2 Liquid crystalline compounds and liquid crystal composition Chisso Corporation (JP) 1995-10-04 EP disclosed
EP-0194879-B1 CYCLOHEXANE DERIVATIVE Chisso Corporation (JP) 1989-03-08 EP disclosed
US-4695398-A Cyclohexane derivative CHISSO CORPORATION (JP) 1987-09-22 US disclosed
EP-0194879-A1 Cyclohexane derivative Chisso Corporation (JP) 1986-09-17 EP disclosed