SCHEMBL12164587

SCHEMBL12164587

C=C(NC/C=C(\C)CCC=C(C)C)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.54
▸ FNTA P49354 6/20 0.51
▸ FNTB P49356 4/20 0.51
▸ PGGT1B P53609 3/20 0.51
▸ TRPV1 Q8NER1 7/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ ALOX15 P16050 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
SCHEMBL12164424 0.84 TRPA1 (0.56) TRPA1FNTAFNTBPGGT1BTRPV1
SCHEMBL12164479 0.84 TRPA1 (0.56) TRPA1FNTAFNTBPGGT1BTRPV1
SCHEMBL2958596 0.84 TRPA1 (0.56) TRPA1FNTAFNTBPGGT1BTRPV1
SCHEMBL12164584 0.81 TRPA1 (0.54) TRPA1FNTAFNTBPGGT1BTRPV1
SCHEMBL12393839 0.80 TRPA1 (0.59) TRPA1FNTAFNTBPGGT1BTRPV1
SCHEMBL12393784 0.80 TRPA1 (0.59) TRPA1FNTAFNTBPGGT1BTRPV1
SCHEMBL7566818 0.79 KMT2A (0.53) FNTAFNTBALDH1A1ALOX15
SCHEMBL7589850 0.79 KMT2A (0.53) FNTAFNTBALDH1A1ALOX15
SCHEMBL8103041 0.79 KMT2A (0.53) FNTAFNTBALDH1A1ALOX15
SCHEMBL8106737 0.79 KMT2A (0.53) FNTAFNTBALDH1A1ALOX15

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-2168442-B1 Geranylamine derivatives of oxalic acid SYMRISE AG (DE) 2011-11-09 — — EP disclosed
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