SCHEMBL10403271

SCHEMBL10403271

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 10/20 0.54
▸ CMA1 P23946 2/20 0.51
▸ ADAMTS4 O75173 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ ELANE P08246 2/20 0.46
▸ PREP P48147 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 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
SCHEMBL10404242 0.92 FKBP1A (0.52) FKBP1ACMA1ACETSHR
SCHEMBL15251677 0.87 FKBP1A (0.52) FKBP1AACE
SCHEMBL15251676 0.87 FKBP1A (0.52) FKBP1AACE
Hydrochloric Acid SCHEMBL10403635 0.86 FKBP1A (0.47) FKBP1ACMA1ACECYP3A4TSHR
SCHEMBL10404568 0.85 ACE (0.53) FKBP1AADAMTS4ACE
SCHEMBL10403953 0.85 FKBP1A (0.53) FKBP1AACEALDH1A1CYP3A4TSHR
SCHEMBL10404382 0.85 POLB (0.54) CMA1ADAMTS4MMP13ACEELANE
SCHEMBL15251894 0.84 FKBP1A (0.56) FKBP1AACE
SCHEMBL1992452 0.83 FKBP1A (0.60) FKBP1ACMA1ELANEPREPALDH1A1
SCHEMBL10404429 0.83 FKBP1A (0.50) FKBP1AADAMTS4MMP13ACE

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 2 patents. 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
EP-0190852-A2 Dipeptide derivatives and antihypertensive drugs containing them AJINOMOTO CO., INC. (JP) 1986-08-13 — — EP disclosed
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