SCHEMBL7280066

SCHEMBL7280066

CCCC[C@H](NC(=O)C(Cc1cccc2ccccc12)CS(=O)(=O)c1ccoc1C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 3/20 0.45
▸ ACE P12821 1/20 0.45
▸ CPA1 P15085 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.43
▸ FOLH1 Q04609 1/20 0.39
▸ ECE1 P42892 1/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ REN P00797 6/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ PYGL P06737 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL7287432 0.90 CTSK (0.41) MMEACECPA1ACE2HRH4
SCHEMBL7267914 0.83 HRH4 (0.53) MMEACECPA1ACE2HRH4
SCHEMBL7278135 0.83 HRH4 (0.53) MMEACECPA1ACE2HRH4
SCHEMBL7267230 0.82 MME (0.48) MMEACECPA1ACE2HRH4
SCHEMBL7266120 0.81 HRH4 (0.46) MMEACECPA1ACE2HRH4
SCHEMBL9083662 0.80 HRH4 (0.50) MMEACECPA1ACE2HRH4
SCHEMBL10867305 0.78 HRH4 (0.56) MMEACECPA1ACE2HRH4
SCHEMBL10867308 0.78 HRH4 (0.56) MMEACECPA1ACE2HRH4
SCHEMBL7269748 0.77 MME (0.46) MMEACECPA1ACE2HRH4
SCHEMBL7371297 0.77 HRH4 (0.50) MMEACECPA1ACE2HRH4

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
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 — — EP disclosed
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