SCHEMBL11411467

SCHEMBL11411467

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 8/20 0.56
▸ ACE P12821 8/20 0.56
▸ CPA1 P15085 1/20 0.56
▸ ACE2 Q9BYF1 1/20 0.56
▸ FOLH1 Q04609 1/20 0.54
▸ NAALAD2 Q9Y3Q0 1/20 0.54
▸ TSHR P16473 1/20 0.50

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
SCHEMBL11416640 0.88 NAALAD2 (0.69) MMEACECPA1ACE2FOLH1
SCHEMBL11417013 0.87 MME (0.58) MMEACECPA1ACE2FOLH1
SCHEMBL11416632 0.86 ALDH1A1 (0.56) MMEACETSHR
SCHEMBL11414971 0.85 NAALAD2 (0.57) MMEACECPA1ACE2FOLH1
SCHEMBL14113283 0.82 FOLH1 (0.56) MMEACECPA1ACE2FOLH1
SCHEMBL11422246 0.80 ACE (0.62) MMEACECPA1ACE2FOLH1
SCHEMBL6163836 0.80 MME (0.70) MMEACECPA1ACE2FOLH1
SCHEMBL6465852 0.80 MME (0.68) MMEACECPA1ACE2FOLH1
SCHEMBL7616915 0.80 MME (0.68) MMEACECPA1ACE2FOLH1
SCHEMBL24821176 0.78 MME (0.67) MMEACECPA1ACE2FOLH1

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
Send feedback