SCHEMBL9354974

SCHEMBL9354974

COC[C@@H]1CCCN1C(=O)O[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ACE P12821 2/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ACE2 Q9BYF1 2/20 0.41
▸ VEGFA P15692 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SRR Q9GZT4 2/20 0.41
▸ DPP4 P27487 2/20 0.41
▸ DPP8 Q6V1X1 2/20 0.41
▸ DPP9 Q86TI2 2/20 0.41

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
SCHEMBL9354968 1.00 ATM (0.45) ATML3MBTL1ACEROCK2ROCK1
SCHEMBL9358850 0.89 PREP (0.47) ATML3MBTL1ACEACE2PREP
SCHEMBL9358845 0.89 PREP (0.47) ATML3MBTL1ACEACE2PREP
SCHEMBL9354495 0.87 SPHK2 (0.50) ATML3MBTL1ACEALDH1A1HSD17B10
SCHEMBL9354505 0.87 SPHK2 (0.50) ATML3MBTL1ACEALDH1A1HSD17B10
SCHEMBL9358849 0.87 SPHK2 (0.50) ATML3MBTL1ACEALDH1A1HSD17B10
SCHEMBL9354429 0.82 ACE (0.55) ACEALDH1A1PREPLTA4H
SCHEMBL9354431 0.82 ACE (0.55) ACEALDH1A1PREPLTA4H
SCHEMBL9354783 0.82 ACE (0.55) ACEALDH1A1PREPLTA4H
SCHEMBL13994810 0.80 PREP (0.57) L3MBTL1ALDH1A1ACE2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300189-B1 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-11-02 — — EP disclosed
US-5223489-A Treatment of ypertension and heart failure UJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-29 — — US disclosed
US-5142048-A Enzyme inhibitor; carbamoyl group-containing acids FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 — — US disclosed
US-4921855-A New Histidyl amino acid derivatives, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-01 — — US disclosed
EP-0300189-A2 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 — — EP disclosed
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