SCHEMBL9081183

SCHEMBL9081183

CCCC[C@H](NC(=O)[C@@H](COS(=O)(=O)c1ccc(C)cc1)Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.46
▸ MME P08473 3/20 0.46
▸ ACE P12821 1/20 0.46
▸ CPA1 P15085 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.44
▸ MMP9 P14780 2/20 0.40
▸ CA2 P00918 1/20 0.40
▸ FOLH1 Q04609 1/20 0.39
▸ ECE1 P42892 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ HPN P05981 1/20 0.39
▸ PYGL P06737 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL7267650 0.90 REN (0.43) RENMMEACECPA1ACE2
SCHEMBL7269124 0.81 REN (0.41) RENMMEACECPA1ACE2
SCHEMBL7269128 0.81 REN (0.41) RENMMEACECPA1ACE2
SCHEMBL7267914 0.80 HRH4 (0.53) RENMMEACECPA1ACE2
SCHEMBL7278135 0.80 HRH4 (0.53) RENMMEACECPA1ACE2
SCHEMBL10867305 0.79 HRH4 (0.56) RENMMEACECPA1ACE2
SCHEMBL10867308 0.79 HRH4 (0.56) RENMMEACECPA1ACE2
SCHEMBL7287148 0.78 MMP9 (0.41) RENHRH4MMP9FOLH1
SCHEMBL7280777 0.78 MMP9 (0.41) RENHRH4MMP9FOLH1
SCHEMBL7276401 0.78 MME (0.52) RENMMEACECPA1ACE2

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
US-5506356-A RENIN INHIBITORS; HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 — — US disclosed
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