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Sugi Predict / Compounds / SCHEMBL10404242

SCHEMBL10404242

SCHEMBL10404242

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 10/20 0.52
▸ ACE P12821 3/20 0.46
▸ LMNA P02545 2/20 0.45
▸ CMA1 P23946 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
Hydrochloric Acid SCHEMBL10403635 0.94 FKBP1A (0.47) FKBP1AACELMNACMA1TSHR
SCHEMBL10403271 0.92 FKBP1A (0.54) FKBP1AACECMA1TSHR
SCHEMBL10402600 0.86 KMT2A (0.54) ACELMNACMA1L3MBTL1
SCHEMBL10402345 0.86 KMT2A (0.54) ACELMNACMA1L3MBTL1
SCHEMBL15251677 0.84 FKBP1A (0.52) FKBP1AACELMNA
SCHEMBL15251676 0.84 FKBP1A (0.52) FKBP1AACELMNA
SCHEMBL15251734 0.83 ACE (0.56) FKBP1AACE
SCHEMBL15251704 0.83 FKBP1A (0.53) FKBP1AACETSHRL3MBTL1
SCHEMBL15251705 0.83 FKBP1A (0.53) FKBP1AACETSHRL3MBTL1
SCHEMBL15251733 0.83 ACE (0.56) 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 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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