SCHEMBL16541913

SCHEMBL16541913

COc1ccc(-c2ccc(-c3cccc(F)c3)cc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.58
▸ PDGFRB P09619 1/20 0.56
▸ PDGFRA P16234 1/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ NFE2L2 Q16236 1/20 0.56
▸ RELA Q04206 1/20 0.53
▸ FYN P06241 3/20 0.53
▸ TAAR1 Q96RJ0 2/20 0.53
▸ ESR2 Q92731 1/20 0.53
▸ HTR2C P28335 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ AHR P35869 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ NPC1 O15118 1/20 0.46

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
SCHEMBL10436281 0.98 KIT (0.59) KITPDGFRBPDGFRAPTGS1NFE2L2
SCHEMBL17239836 0.84 NFE2L2 (0.58) KITPDGFRBPDGFRANFE2L2FYN
SCHEMBL16541896 0.84 PDE4A (0.57) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL17752364 0.84 PDGFRB (0.52) KITPDGFRBPDGFRAPTGS1NFE2L2
SCHEMBL15202541 0.82 FYN (0.51) KITPDGFRBPDGFRARELAFYN
SCHEMBL4533772 0.82 L3MBTL1 (0.62) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL30979899 0.81 ABL1 (0.63) PDGFRBPDGFRAPTGS1NFE2L2RELA
SCHEMBL1514434 0.81 ABL1 (0.63) PDGFRBPDGFRAPTGS1NFE2L2RELA
SCHEMBL16296701 0.81 FYN (0.50) KITPDGFRBPDGFRARELAFYN
SCHEMBL8840880 0.79 PDE4A (0.67) PDGFRBPDGFRAKDM4EALDH1A1HPGD

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-2842974-B1 COMPOUND HAVING FOUR POLYMERIZABLE GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2019-03-13 — — EP disclosed
EP-3199558-A1 COMPOUND HAVING FOUR POLYMERIZABLE GROUPS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2017-08-02 — — EP disclosed
EP-2842974-A1 COMPOUND HAVING FOUR POLYMERIZABLE GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2015-03-04 — — EP disclosed
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