SCHEMBL10404429

SCHEMBL10404429

O=C(O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 10/20 0.50
▸ ACE P12821 4/20 0.47
▸ F10 P00742 3/20 0.47
▸ F2 P00734 3/20 0.47
▸ PLG P00747 3/20 0.47
▸ TMPRSS11D O60235 1/20 0.47
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ ADAMTS4 O75173 1/20 0.44
▸ ST14 Q9Y5Y6 2/20 0.43
▸ PLAU P00749 1/20 0.43

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
SCHEMBL10404430 0.93 F10 (0.49) FKBP1AACEF10F2PLG
SCHEMBL10404568 0.90 ACE (0.53) FKBP1AACEF10F2PLG
SCHEMBL10403953 0.90 FKBP1A (0.53) FKBP1AACEF10F2PLG
SCHEMBL10404990 0.88 FKBP1A (0.50) FKBP1AACEF10
SCHEMBL15251676 0.87 FKBP1A (0.52) FKBP1AACE
SCHEMBL15251677 0.87 FKBP1A (0.52) FKBP1AACE
SCHEMBL10402259 0.86 ACE (0.53) ACEF10F2PLGMMP9
SCHEMBL10403978 0.85 FKBP1A (0.48) FKBP1AACEMMP9
SCHEMBL15251894 0.84 FKBP1A (0.56) FKBP1AACEF10F2PLG
SCHEMBL10403271 0.83 FKBP1A (0.54) FKBP1AACEMMP13ADAMTS4

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-4971993-A HYPOTENSIVE DIPEPTIDES DERIVATIVES AJINOMOTO CO., INC. (JP) 1990-11-20 — — US disclosed
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