SCHEMBL9512047

SCHEMBL9512047

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MMP2 P08253 3/20 0.50
▸ MMP9 P14780 2/20 0.50
▸ MMP14 P50281 2/20 0.50
▸ MMP1 P03956 2/20 0.50
▸ MMP13 P45452 2/20 0.50
▸ ADAM17 P78536 1/20 0.50
▸ MMP3 P08254 1/20 0.50
▸ MMP7 P09237 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ HSP90AB1 P08238 1/20 0.50
▸ PDK1 Q15118 1/20 0.50
▸ PDK2 Q15119 1/20 0.50
▸ PDK3 Q15120 1/20 0.50
▸ PDK4 Q16654 1/20 0.50
▸ TBXA2R P21731 1/20 0.49
▸ TBXAS1 P24557 1/20 0.49
▸ SGMS1 Q86VZ5 1/20 0.47

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
SCHEMBL10701921 0.89 ALDH1A1 (0.56) IDO1ALDH1A1TSHRHSP90AA1HSP90AB1
SCHEMBL9765316 0.88 ALDH1A1 (0.54) ALDH1A1TSHRMMP2MMP9MMP14
SCHEMBL9510767 0.88 ALDH1A1 (0.54) IDO1ALDH1A1TSHRMMP1HSP90AA1
SCHEMBL10703755 0.85 CA1 (0.55) ALDH1A1TSHRMMP9MMP1MMP13
SCHEMBL9510762 0.84 GRIA4 (0.46) IDO1ALDH1A1MMP2MMP9MMP14
SCHEMBL9512747 0.81 HSP90AA1 (0.55) ALDH1A1TSHRHSP90AA1HSP90AB1PDK1
SCHEMBL6179006 0.79 GRIA4 (0.56) ALDH1A1MMP2MMP9MMP1MMP13
SCHEMBL27287741 0.79 GRIA4 (0.56) ALDH1A1MMP2MMP9MMP1MMP13
SCHEMBL9765272 0.78 ALDH1A1 (0.53) ALDH1A1TSHRTBXA2RTBXAS1SMN1; SMN2
SCHEMBL9512068 0.78 TBXA2R (0.63) IDO1ALDH1A1TSHRMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 — — EP claimed
EP-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 — — EP disclosed
US-4948810-A PLATELET AGGREGATION INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 — — US disclosed
US-4866196-A ANTICOAGULANTS TANABE SEIYAKU CO., LTD. (JP) 1989-09-12 — — US disclosed
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