SCHEMBL16953903

SCHEMBL16953903

C=[C]c1cc(Cl)cc(OCC(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.36
▸ MAPT P10636 3/20 0.35
▸ KDM1A O60341 1/20 0.33
▸ HPGD P15428 4/20 0.33
▸ POLB P06746 2/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ ACACB O00763 3/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ SCN4A P35499 2/20 0.32
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL13155576 0.82 MAPT (0.48) MAOBMAPTKDM1AHPGDPOLB
SCHEMBL16961875 0.81 NQO1 (0.39) MAPTHPGDPOLBXBP1ACACB
SCHEMBL16955171 0.81 HPGD (0.42) MAOBMAPTHPGDPOLBXBP1
SCHEMBL16951236 0.81 HPGD (0.33) MAPTHPGDPOLBXBP1MAOA
SCHEMBL16951238 0.81 NQO1 (0.41) MAOBMAPTKDM4EALDH1A1GAA
SCHEMBL16950354 0.80 ACACB (0.35) MAPTHPGDPOLBXBP1ACACB
SCHEMBL16955697 0.80 MAPT (0.36) MAPTHPGDPOLBXBP1ACACB
SCHEMBL16961444 0.80 FFAR4 (0.40) MAOBMAPTHPGDPOLBXBP1
SCHEMBL16960514 0.80 POLB (0.36) MAPTHPGDPOLBXBP1ACACB
SCHEMBL16960446 0.80 RARA (0.41) MAPTHPGDPOLBXBP1ACACB

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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