SCHEMBL11225325

SCHEMBL11225325

[CH]c1ccc(O)c(O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.35
▸ ALOX15 P16050 4/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ RECQL P46063 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ ADAMTS4 O75173 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ MMP12 P39900 1/20 0.35

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
SCHEMBL31290749 0.77 TRPA1 (0.46) TRPA1ALDH1A1ALOX15HSD17B10LMNA
SCHEMBL3708636 0.77 TRPA1 (0.46) TRPA1ALDH1A1ALOX15HSD17B10LMNA
SCHEMBL68586 0.72 TRPA1 (0.48) TRPA1ALDH1A1ALOX15HSD17B10LMNA
SCHEMBL30925076 0.72 TRPA1 (0.48) TRPA1ALDH1A1ALOX15HSD17B10LMNA
SCHEMBL28460155 0.68 TRPA1 (0.39) TRPA1ALDH1A1ALOX15HSD17B10LMNA
SCHEMBL22133743 0.68 CA6 (0.39) TRPA1ALDH1A1ALOX15HSD17B10LMNA
SCHEMBL3684342 0.68 CYP3A4 (0.46) TRPA1ALDH1A1ALOX15HSD17B10LMNA
SCHEMBL291343 0.68 ALDH1A1 (0.46) TRPA1ALDH1A1ALOX15HSD17B10LMNA
SCHEMBL5872088 0.68 ALOX15 (0.39) TRPA1ALDH1A1ALOX15HSD17B10LMNA
SCHEMBL30922178 0.67 RPS6KA3 (0.41) TRPA1ALDH1A1HSD17B10LMNAHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57165316-A — — None — — JP disclosed
JP-S57165316-A CARCINOSTATIC AGENT TOYOBO CO LTD 1982-10-12 — — JP disclosed
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