SCHEMBL8109469

SCHEMBL8109469

O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIMP3 P35625 4/20 0.47
▸ TDP1 Q9NUW8 4/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ USP2 O75604 2/20 0.45
▸ RECQL P46063 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ HPSE Q9Y251 3/20 0.40
▸ PRMT1 Q99873 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ ENPP3 O14638 1/20 0.40
▸ ENTPD3 O75355 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
SCHEMBL10792013 0.89 TIMP3 (0.47) TIMP3TDP1MEN1KMT2AUSP2
SCHEMBL10945343 0.88 TIMP3 (0.47) TIMP3TDP1MEN1KMT2AUSP2
SCHEMBL10943480 0.85 TIMP3 (0.48) TIMP3TDP1MEN1KMT2AUSP2
SCHEMBL8114507 0.85 TIMP3 (0.48) TIMP3TDP1MEN1KMT2AUSP2
SCHEMBL10791619 0.84 TIMP3 (0.47) TIMP3TDP1MEN1KMT2AUSP2
SCHEMBL8417845 0.83 TIMP3 (0.53) TIMP3TDP1MEN1KMT2AUSP2
SCHEMBL11313279 0.83 CA1 (0.48) TIMP3TDP1MEN1KMT2AUSP2
SCHEMBL9697630 0.81 NT5E (0.53) TIMP3TDP1MEN1KMT2AUSP2
SCHEMBL942276 0.81 CASP6 (0.51) TIMP3TDP1MEN1KMT2AUSP2
SCHEMBL30818027 0.80 APEX1 (0.66) TIMP3TDP1MEN1KMT2AUSP2

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
US-6015885-A COLOR-STABLE, WATERPROOF DYES FOR NATURAL FIBERS OR REGENERATED CELLULOSE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-18 — — US disclosed
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