SCHEMBL11416640

SCHEMBL11416640

CC(CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 2/20 0.69
▸ ACE P12821 10/20 0.60
▸ MME P08473 7/20 0.60
▸ CPA1 P15085 2/20 0.60
▸ ACE2 Q9BYF1 2/20 0.60
▸ FOLH1 Q04609 2/20 0.58

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
SCHEMBL11414971 0.91 NAALAD2 (0.57) NAALAD2ACEMMECPA1ACE2
SCHEMBL11411467 0.88 MME (0.56) NAALAD2ACEMMECPA1ACE2
SCHEMBL11422246 0.86 ACE (0.62) NAALAD2ACEMMECPA1ACE2
SCHEMBL31610861 0.85 NAALAD2 (0.67) NAALAD2ACEMMECPA1ACE2
SCHEMBL11570507 0.84 NAALAD2 (0.66) NAALAD2ACEMMECPA1ACE2
SCHEMBL159463 0.84 NAALAD2 (0.69) NAALAD2ACEMMECPA1ACE2
SCHEMBL27412431 0.84 NAALAD2 (0.69) NAALAD2ACEMMECPA1ACE2
SCHEMBL159464 0.84 NAALAD2 (0.69) NAALAD2ACEMMECPA1ACE2
SCHEMBL31615028 0.84 NAALAD2 (0.65) NAALAD2ACEMMECPA1ACE2
SCHEMBL6163836 0.83 MME (0.70) ACEMMECPA1ACE2FOLH1

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-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-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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