SCHEMBL8964215

SCHEMBL8964215

COc1ccc(S(=O)(=O)c2cccc(C(=O)O)c2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 15/20 0.59
▸ MMP12 P39900 15/20 0.59
▸ MMP9 P14780 14/20 0.59
▸ MMP8 P22894 12/20 0.59
▸ MMP13 P45452 12/20 0.59
▸ MMP14 P50281 12/20 0.59
▸ MMP16 P51512 12/20 0.59
▸ MMP3 P08254 9/20 0.55
▸ MMP1 P03956 5/20 0.55
▸ ADAM17 P78536 1/20 0.52
▸ PKM P14618 2/20 0.50
▸ GAA P10253 2/20 0.47
▸ FABP4 P15090 1/20 0.45
▸ USP2 O75604 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL11609756 0.88 MMP2 (0.58) MMP2MMP12MMP9MMP8MMP13
SCHEMBL19040679 0.84 AKR1C3 (0.46) MMP2MMP12MMP9MMP8MMP13
SCHEMBL11610684 0.83 MMP2 (0.55) MMP2MMP12MMP9MMP8MMP13
SCHEMBL29676384 0.83 NPSR1 (0.47) MMP2MMP12MMP9MMP8MMP13
SCHEMBL34677 0.83 NPSR1 (0.47) MMP2MMP12MMP9MMP8MMP13
SCHEMBL314725 0.83 MMP2 (0.74) MMP2MMP12MMP9MMP8MMP13
SCHEMBL11699547 0.83 FABP4 (0.45) MMP2MMP12MMP9MMP8MMP13
SCHEMBL11607950 0.81 ALOX15 (0.44) MMP2MMP12MMP9MMP8MMP13
SCHEMBL11607020 0.80 L3MBTL1 (0.66) MMP2MMP12MMP9MMP8MMP13
SCHEMBL11606623 0.79 MMP2 (0.45) MMP2MMP12MMP9MMP8MMP13

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
US-5530130-A DYEING PLASTICS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 — — US disclosed
EP-0639624-A1 Phthaloperinone dyestuffs BAYER AG (DE) 1995-02-22 — — EP disclosed
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