SCHEMBL9728397

SCHEMBL9728397

Cc1ccc(CN(C(=O)OC(C)(C)C)[C@H](CS)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ ACE P12821 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ STAT5B P51692 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ AKT1 P31749 2/20 0.34
▸ MMP13 P45452 1/20 0.33
▸ SLC1A5 Q15758 1/20 0.33

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
SCHEMBL2580570 0.90 L3MBTL1 (0.47) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL7276228 0.90 L3MBTL1 (0.47) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL10519344 0.88 LDHA (0.43) ALDH1A1L3MBTL1PPARGPPARAACE
SCHEMBL11400130 0.88 LDHA (0.43) ALDH1A1L3MBTL1PPARGPPARAACE
SCHEMBL11504081 0.88 ACE (0.37) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL11579749 0.88 LDHA (0.43) ALDH1A1L3MBTL1PPARGPPARAACE
SCHEMBL2544891 0.87 ALDH1A1 (0.39) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL9331526 0.85 ALDH1A1 (0.39) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL9497492 0.82 ALDH1A1 (0.39) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL9497823 0.82 ALDH1A1 (0.39) ALDH1A1LMNAPOLBHSD17B10L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169833-A Analgesics G. D. SEARLE & CO. (US) 1992-12-08 — — US disclosed
WO-1991008759-A1 ALKYL SUBSTITUTED CYCLIC PENICILLANIC ACID PENTAPAPTIDES G.D. SEARLE & CO. (US) 1991-06-27 — — WO disclosed
WO-1991009051-A1 SUBSTITUTED CYCLIC PENICILLANIC ACID TETRAPEPTIDES G.D. SEARLE & CO. (US) 1991-06-27 — — WO disclosed
US-4224199-A ANTIDIABETIC MEYERS CHESTER A 1980-09-23 — — US disclosed
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