SCHEMBL16954362

SCHEMBL16954362

CCCc1cccc([CH]O)c1OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.37
▸ TLR4 O00206 1/20 0.33
▸ PTGER4 P35408 2/20 0.32
▸ PTGER3 P43115 2/20 0.32
▸ PTGER2 P43116 2/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LTB4R Q15722 1/20 0.31
▸ LTB4R2 Q9NPC1 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 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
SCHEMBL16950925 0.86 GABRA1 (0.41) ELANETLR4GSK3AMAPTNPSR1
SCHEMBL16957325 0.85 NPC1 (0.35) TLR4GSK3AMAPTNPSR1L3MBTL1
SCHEMBL16960025 0.85 CA1 (0.39) ELANEPTGER4PTGER3PTGER2DAO
SCHEMBL16953875 0.83 ELANE (0.37) ELANETLR4GSK3AMAPTNPSR1
SCHEMBL16959340 0.81 GABRA1 (0.32) DAOPTGS2MAPTGABRA1GABRB2
SCHEMBL16960196 0.77 MEN1 (0.42) GSK3AMAPTL3MBTL1
SCHEMBL18263237 0.77 IAPP (0.44) ELANEMAPTPPARGPPARA
SCHEMBL16959995 0.77 SCN4A (0.38) TLR4PTGER4PTGER3PTGER2MAPT
SCHEMBL16957571 0.77 CA1 (0.44) TLR4GSK3AMAPT
SCHEMBL11885014 0.77 CYP4F2 (0.40) ELANESLC2A1DAOALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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