SCHEMBL9510762

SCHEMBL9510762

CC(CNS(=O)(=O)c1ccc(Br)cc1)c1ccc(OCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA4 P48058 1/20 0.46
▸ MMP2 P08253 4/20 0.46
▸ MMP9 P14780 3/20 0.46
▸ MMP14 P50281 2/20 0.46
▸ ADAM17 P78536 1/20 0.46
▸ MMP13 P45452 3/20 0.45
▸ MMP1 P03956 2/20 0.45
▸ ADAMTS4 O75173 1/20 0.45
▸ ADAMTS5 Q9UNA0 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 2/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ AR P10275 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42

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
SCHEMBL9512047 0.84 IDO1 (0.60) MMP2MMP9MMP14ADAM17MMP13
SCHEMBL6783947 0.81 GRIA4 (0.59) GRIA4
SCHEMBL7053872 0.79 GRIA4 (0.64) GRIA4MMP2MMP9MMP13
SCHEMBL27287741 0.77 GRIA4 (0.56) GRIA4MMP2MMP9MMP13MMP1
SCHEMBL6179006 0.77 GRIA4 (0.56) GRIA4MMP2MMP9MMP13MMP1
SCHEMBL27508683 0.75 MEN1 (0.53) MMP2MMP9MMP14ADAM17MMP13
SCHEMBL10701921 0.73 ALDH1A1 (0.56) GRIA4ALDH1A1KMT2AIDO1HSP90AA1
SCHEMBL27508684 0.73 MEN1 (0.53) MMP2MMP9MMP14ADAM17MMP13
SCHEMBL3412348 0.72 CA1 (0.52) MMP2MMP9MMP13MMP1ALDH1A1
SCHEMBL3412102 0.72 CA1 (0.52) MMP2MMP9MMP13MMP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 — — EP claimed
US-4948810-A PLATELET AGGREGATION INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 — — US claimed
EP-0325245-A1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO., LTD. (JP) 1989-07-26 — — EP claimed
JP-1186855-A — — None — — JP disclosed
JP-H01186855-A PHENOXYACETIC ACID DERIVATIVE TANABE SEIYAKU CO LTD 1989-07-26 — — JP disclosed
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