SCHEMBL9775756

SCHEMBL9775756

CCCCCc1ccc(-c2ccc(O)c(F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.65
RARA P10276 2/20 0.65
RARG P13631 1/20 0.65
MGLL Q99685 6/20 0.53
FAAH O00519 2/20 0.53
CNR1 P21554 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP17A1 P05093 1/20 0.53
CYP19A1 P11511 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
ESR1 P03372 2/20 0.51
ADRA2A P08913 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
TACR2 P21452 2/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL25797815 0.98 RARB (0.68) RARBRARARARGMGLLFAAH
SCHEMBL8024671 0.98 RARB (0.68) RARBRARARARGMGLLFAAH
SCHEMBL10455852 0.98 RARB (0.68) RARBRARARARGMGLLFAAH
SCHEMBL19722373 0.93 RARB (0.58) RARBRARARARGMGLLFAAH
SCHEMBL10435290 0.88 MCL1 (0.59) RARBRARARARGMGLLFAAH
SCHEMBL15725360 0.88 RARB (0.52) RARBRARARARGMGLLFAAH
SCHEMBL9313970 0.86 KAT8 (0.57) CYP3A4ESR1ADRA2AADORA3TACR2
SCHEMBL6250464 0.85 MAPT (0.54) RARBRARARARGMGLLFAAH
SCHEMBL9740614 0.85 MAPT (0.54) RARBRARARARGMGLLFAAH
SCHEMBL6249433 0.85 MAPT (0.54) RARBRARARARGMGLLFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3257839-B1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2019-09-04 EP disclosed
US-8906260-B2 Difluoroethyleneoxi derivatives, the liquid crystal composition and the liquid crystal display device JNC CORPORATION (JP) 2014-12-09 US disclosed
US-8906260-B2 Difluoroethyleneoxi derivatives, the liquid crystal composition and the liquid crystal display device JNC CORPORATION (JP) 2014-12-09 US disclosed
US-20130230669-A1 DIFLUOROETHYLENEOXI DERIVATIVES, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-09-05 US disclosed
US-20130230669-A1 DIFLUOROETHYLENEOXI DERIVATIVES, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-09-05 US disclosed
US-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 US disclosed
US-4808333-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1989-02-28 US disclosed