SCHEMBL16955697

SCHEMBL16955697

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ POLB P06746 3/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.32
▸ ACACB O00763 5/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ XDH P47989 1/20 0.31
▸ MEN1 O00255 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
SCHEMBL16955171 0.81 HPGD (0.42) MAPTHPGDPOLBXBP1ACACB
SCHEMBL16951236 0.81 HPGD (0.33) MAPTHPGDPOLBXBP1ACACB
SCHEMBL16961875 0.81 NQO1 (0.39) MAPTHPGDPOLBXBP1ACACB
SCHEMBL16955846 0.81 NQO1 (0.41) MAPTHPGDALDH1A1KDM4ETSHR
SCHEMBL16950354 0.80 ACACB (0.35) MAPTHPGDPOLBXBP1ACACB
SCHEMBL16956981 0.80 MAPT (0.36) MAPTHPGDPOLBXBP1ACACB
SCHEMBL16953903 0.80 MAOB (0.36) MAPTHPGDPOLBXBP1ACACB
SCHEMBL16961444 0.80 FFAR4 (0.40) MAPTHPGDPOLBXBP1ACACB
SCHEMBL16960514 0.80 POLB (0.36) MAPTHPGDPOLBXBP1ACACB
SCHEMBL16960446 0.80 RARA (0.41) MAPTHPGDPOLBXBP1NR1H4

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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