SCHEMBL10403978

SCHEMBL10403978

O=C(O)C(Cc1ccccc1)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 8/20 0.48
▸ ACE P12821 5/20 0.47
▸ ACE2 Q9BYF1 1/20 0.46
▸ LTA4H P09960 2/20 0.45
▸ CTRB1 P17538 1/20 0.44
▸ MMP2 P08253 3/20 0.43
▸ MMP9 P14780 2/20 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
SCHEMBL10404568 0.91 ACE (0.53) FKBP1AACECTRB1MMP2MMP9
SCHEMBL15251676 0.88 FKBP1A (0.52) FKBP1AACE
SCHEMBL15251677 0.88 FKBP1A (0.52) FKBP1AACE
SCHEMBL10403953 0.87 FKBP1A (0.53) FKBP1AACECTRB1
SCHEMBL15251894 0.86 FKBP1A (0.56) FKBP1AACE
SCHEMBL10404429 0.85 FKBP1A (0.50) FKBP1AACEMMP9
SCHEMBL10404430 0.83 F10 (0.49) FKBP1AACEMMP2MMP9
SCHEMBL15251845 0.83 FKBP1A (0.47) FKBP1A
SCHEMBL15251854 0.83 FKBP1A (0.47) FKBP1A
SCHEMBL10404990 0.82 FKBP1A (0.50) FKBP1AACE

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
Send feedback