SCHEMBL16959160

SCHEMBL16959160

Cc1cc([CH]O)ccc1I

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 7/20 0.36
▸ PTGS2 P35354 7/20 0.36
▸ ALOX5 P09917 7/20 0.36
▸ TTR P02766 1/20 0.32
▸ TUBB1 Q9H4B7 3/20 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
SCHEMBL6632434 0.78 TUBB1 (0.46) PTGS1PTGS2ALOX5TTRTUBB1
SCHEMBL16958959 0.77 TDP1 (0.45) PTGS1PTGS2ALOX5TUBB1
SCHEMBL2936342 0.77 ALDH1A1 (0.47) PTGS2
SCHEMBL16955482 0.73 ALDH1A1 (0.37) —
SCHEMBL16958944 0.73 GABRA1 (0.47) PTGS1PTGS2ALOX5TUBB1
SCHEMBL16954100 0.73 NFE2L2 (0.32) —
SCHEMBL16952518 0.73 PTGS1 (0.42) PTGS1PTGS2ALOX5
SCHEMBL16950606 0.73 ALDH1A1 (0.42) PTGS1PTGS2ALOX5
SCHEMBL16960674 0.73 TRPA1 (0.36) —
SCHEMBL16960327 0.72 ALDH1A1 (0.43) PTGS1PTGS2ALOX5TTRTUBB1

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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