SCHEMBL11419451

SCHEMBL11419451

COC(=O)CC(C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ MMP7 P09237 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ MMP1 P03956 2/20 0.34
▸ MME P08473 3/20 0.33
▸ CPA1 P15085 3/20 0.33
▸ ACE2 Q9BYF1 3/20 0.33
▸ ECE1 P42892 2/20 0.33
▸ ITGA4 P13612 1/20 0.32
▸ ITGB7 P26010 1/20 0.32

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
SCHEMBL11419859 0.89 ACE (0.39) ACEMMP2MMP7MMP9MMP12
SCHEMBL11421292 0.86 MMP9 (0.46) ACEMMP2MMP7MMP9MMP12
SCHEMBL8896490 0.83 ACE (0.41) ACEMMP2MMP7MMP9MMP12
SCHEMBL29071842 0.82 ACE (0.38) ACEMMP2MMP7MMP9MMP12
SCHEMBL753950 0.82 ITGA4 (0.41) ACEMMEITGA4ITGB7
SCHEMBL11571039 0.82 NAALAD2 (0.38) ACEMMP2MMP7MMP9MMP12
SCHEMBL3916119 0.81 CTRB1 (0.37) ACEMMECPA1ACE2
SCHEMBL3810013 0.81 CTRB1 (0.37) ACEMMECPA1ACE2
SCHEMBL8216358 0.81 ACE (0.51) ACEMMECPA1ACE2ECE1
SCHEMBL29511173 0.81 CTRB1 (0.37) ACEMMECPA1ACE2

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
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-4207337-A ESPECIALLY ANGIOTENSIN 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-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-4192882-A SUBSTITUTED INDOLES FOR RELIEVING ANGIOTENSIN RELATED HYPERTENSION E. R. SQUIBB & SONS, INC. (US) 1980-03-11 — — 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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