SCHEMBL11437517

SCHEMBL11437517

COC(=O)CC(C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.41
▸ MME P08473 1/20 0.40
▸ ECE1 P42892 1/20 0.40
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HRAS P01112 2/20 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
SCHEMBL11437514 0.82 CTSL (0.40) ALDH1A1MAPK1L3MBTL1
SCHEMBL11419458 0.78 ITGB2 (0.54) RENMMEECE1ALDH1A1
SCHEMBL11416854 0.76 CYP3A4 (0.50) —
SCHEMBL11411181 0.74 CTSL (0.39) ALDH1A1MAPK1L3MBTL1
SCHEMBL11411177 0.74 CTSL (0.39) ALDH1A1MAPK1L3MBTL1
SCHEMBL11417429 0.72 ACE (0.43) ALDH1A1MAPK1L3MBTL1
SCHEMBL11419443 0.71 ALDH1A1 (0.63) RENMMEALDH1A1
SCHEMBL6153746 0.71 GAA (0.52) ALDH1A1MAPK1L3MBTL1
SCHEMBL26304185 0.70 ALDH1A1 (0.57) ALDH1A1
SCHEMBL11424459 0.70 ALDH1A1 (0.58) RENMMEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4228184-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1980-10-14 — — US disclosed
US-4207336-A AGIOTENSIN RELATED HYPERTENSION E. R. SQUIBB & SONS, INC. (US) 1980-06-10 — — US disclosed
US-4207342-A Relieving hypertension with carboxyalkylacylamino acids E. R. SQUIBB & SONS, INC. (US) 1980-06-10 — — US disclosed
US-4207337-A ESPECIALLY ANGIOTENSIN RELATED HYPERTENSION E. R. SQUIBB & SONS, INC. (US) 1980-06-10 — — US disclosed
US-4206232-A Relieving hypertension with carboxyalkylacylamino acids E. R. SQUIBB & SONS, INC. (US) 1980-06-03 — — US disclosed
US-4200649-A Relieving hypertension with carboxyalkylacylamino acids E. R. SQUIBB & SONS, INC. (US) 1980-04-29 — — US disclosed
US-4192881-A RELIEVING ANGIOTENSIN RELATED HYPERTENSION E. R. SQUIBB & SONS, INC. (US) 1980-03-11 — — US disclosed
US-4153725-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-05-08 — — US disclosed
US-4146641-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-03-27 — — US disclosed
US-4146639-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-03-27 — — US disclosed
US-4105789-A Carboxyalkylacylamino acids E. R. SQUIBB & SONS, INC. (US) 1978-08-08 — — US disclosed
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