SCHEMBL11400130

SCHEMBL11400130

COc1ccc(CN(C(=O)OC(C)(C)C)[C@H](CS)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ACE P12821 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NR1D1 P20393 1/20 0.39
▸ BMP1 P13497 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.38

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
SCHEMBL11579749 1.00 LDHA (0.43) LDHAL3MBTL1PPARGPPARATDP1
SCHEMBL10519344 1.00 LDHA (0.43) LDHAL3MBTL1PPARGPPARATDP1
SCHEMBL5494081 0.88 LDHA (0.43) LDHAL3MBTL1PPARGPPARATDP1
SCHEMBL9728397 0.88 ALDH1A1 (0.39) L3MBTL1PPARGPPARAACEALDH1A1
SCHEMBL2580570 0.87 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL7276228 0.87 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL11400678 0.85 PPARG (0.41) PPARGPPARAACEALDH1A1SMN1; SMN2
SCHEMBL11504081 0.83 ACE (0.37) L3MBTL1PPARGTDP1ACEALDH1A1
SCHEMBL11148899 0.83 LDHA (0.43) LDHAL3MBTL1PPARGPPARATDP1
SCHEMBL8893537 0.81 LDHA (0.44) LDHAL3MBTL1PPARGPPARATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0022621-A1 Peptides related to somatostatin, their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1981-01-21 — — EP disclosed
EP-0011366-A2 Synthetic peptides, their preparation, pharmaceutical formulations containing them and intermediates for their preparation ELI LILLY AND COMPANY (US) 1980-05-28 — — EP disclosed
US-4202802-A PREFERENTIAL INHIBITION OF SCRETION OF GROWTH HORMONE ELI LILLY AND COMPANY (US) 1980-05-13 — — US disclosed
US-4199501-A INHIBITORS OF SECRETION OF GROWTH HORMONE ELI LILLY AND COMPANY (US) 1980-04-22 — — US disclosed
US-4199500-A INHIBITORS OF SECRETION OF GROWTH HORMONE ELI LILLY AND COMPANY (US) 1980-04-22 — — US disclosed
US-4100117-A GASTROINTESTINAL DISORDERS ELI LILLY AND COMPANY (US) 1978-07-11 — — US disclosed
US-4093574-A Somatostatin analogs and intermediates thereto ELI LILLY AND COMPANY (US) 1978-06-06 — — US disclosed
US-4087390-A Somatostatin analogs and intermediates thereto ELI LILLY AND COMPANY (US) 1978-05-02 — — US disclosed
US-4076659-A L-Val10 -somatostatin and intermediates thereto ELI LILLY AND COMPANY (US) 1978-02-28 — — US disclosed
US-4062816-A D-Ala5 -somatostatin and intermediates thereto ELI LILLY AND COMPANY (US) 1977-12-13 — — US disclosed
US-4061607-A Somatostatin analogs and intermediates thereto ELI LILLY AND COMPANY (US) 1977-12-06 — — US disclosed
US-4061626-A GROWTH HORMONE STIMULANTS ELI LILLY AND COMPANY (US) 1977-12-06 — — US disclosed
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