SCHEMBL6175650

SCHEMBL6175650

COc1ccc(N(CC(=O)O)C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 3/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ PTPRB P23467 1/20 0.52
▸ PTPN11 Q06124 1/20 0.52
▸ GPR119 Q8TDV5 1/20 0.51
▸ EPHX2 P34913 1/20 0.48
▸ HTT P42858 1/20 0.46
▸ MMP1 P03956 3/20 0.46
▸ MMP3 P08254 3/20 0.46
▸ MMP7 P09237 3/20 0.46
▸ MMP9 P14780 3/20 0.46
▸ MMP8 P22894 3/20 0.46
▸ MMP13 P45452 3/20 0.46
▸ MMP2 P08253 2/20 0.46
▸ BACE1 P56817 2/20 0.46
▸ CTSD P07339 1/20 0.46
▸ CTSE P14091 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTPN2 P17706 1/20 0.45

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
SCHEMBL6176749 0.83 CHRM5 (0.51) —
SCHEMBL15963304 0.81 STS (0.50) STSALDH1A1PTPRBPTPN11GPR119
SCHEMBL28750362 0.81 STS (0.50) STSALDH1A1PTPRBPTPN11MEN1
SCHEMBL28750334 0.79 MEN1 (0.48) STSALDH1A1PTPRBPTPN11MEN1
SCHEMBL28750298 0.79 MEN1 (0.48) STSALDH1A1PTPRBPTPN11MEN1
SCHEMBL28750307 0.78 MEN1 (0.48) STSALDH1A1PTPRBPTPN11MEN1
SCHEMBL6171439 0.77 ALDH1A1 (0.50) ALDH1A1EPHX2HTT
SCHEMBL6172831 0.77 KEAP1 (0.44) HTT
SCHEMBL6170917 0.76 KEAP1 (0.43) ALDH1A1HTT
SCHEMBL17367288 0.76 STS (0.54) STSALDH1A1PTPRBPTPN11MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949543-B2 Amide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-27 — — US disclosed
EP-1340750-B1 AMIDE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 — — EP disclosed
EP-1340750-A1 AMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-09-03 — — EP disclosed
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