SCHEMBL9556774

SCHEMBL9556774

CC(C)c1cc(CCC(=O)NCNC(=O)CCc2cc(C(C)C)c(O)c(C(C)C)c2)cc(C(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.49
▸ GSR P00390 1/20 0.45
▸ GAA P10253 4/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GABRA1 P14867 5/20 0.44
▸ GABRB1 P18505 5/20 0.44
▸ GABRB2 P47870 2/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ GABRA2 P47869 1/20 0.44
▸ GABRA4 P48169 1/20 0.44
▸ GABRA6 Q16445 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ SELL P14151 1/20 0.40
▸ SELP P16109 1/20 0.40
▸ SELE P16581 1/20 0.40
▸ THRA P10827 1/20 0.40

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
SCHEMBL27261832 0.85 TRPA1 (0.50) TRPA1GSRGAAKMT2AGABRA1
SCHEMBL9422308 0.84 GAA (0.59) TRPA1GSRGAAKMT2AGABRA1
SCHEMBL7246792 0.82 KMT2A (0.47) TRPA1GAAKMT2AGABRA1GABRB1
SCHEMBL7240187 0.82 HPGD (0.57) GAAKMT2A
SCHEMBL4328080 0.80 TRPA1 (0.61) TRPA1GSRGAAGABRA1GABRB1
SCHEMBL9198461 0.80 TRPA1 (0.54) TRPA1GSRGAAGABRA1GABRB1
SCHEMBL9519785 0.80 TRPA1 (0.54) TRPA1GSRGAAGABRA1GABRB1
SCHEMBL4322717 0.79 TRPA1 (0.50) TRPA1GSRGAAGABRA1GABRB1
SCHEMBL11519193 0.78 TRPA1 (0.52) TRPA1GSRGAAGABRA1GABRB1
SCHEMBL9422303 0.77 MEN1 (0.48) TRPA1GAAKMT2A

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-0289077-B1 THERMOSTABILIZED COPOLYMER COMPOSITION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-06-30 — — EP disclosed
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