SCHEMBL9354526

SCHEMBL9354526

O=C(OCc1ccccc1)[C@H](Cc1ccccc1)OC(=O)N1CCC[C@@H]1CO

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SPHK2 Q9NRA0 3/20 0.52
▸ ACE2 Q9BYF1 2/20 0.48
▸ CTRB1 P17538 1/20 0.48
▸ PREP P48147 3/20 0.44
▸ ACE P12821 1/20 0.43
▸ SPHK1 Q9NYA1 2/20 0.43
▸ ATM Q13315 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL9354523 1.00 SPHK2 (0.52) SPHK2ACE2CTRB1PREPACE
SCHEMBL9358285 1.00 SPHK2 (0.52) SPHK2ACE2CTRB1PREPACE
SCHEMBL9354505 0.89 SPHK2 (0.50) SPHK2ACE2CTRB1ACEATM
SCHEMBL9358849 0.89 SPHK2 (0.50) SPHK2ACE2CTRB1ACEATM
SCHEMBL9354495 0.89 SPHK2 (0.50) SPHK2ACE2CTRB1ACEATM
SCHEMBL9358850 0.88 PREP (0.47) ACE2CTRB1PREPACEATM
SCHEMBL9358845 0.88 PREP (0.47) ACE2CTRB1PREPACEATM
SCHEMBL809494 0.84 SPHK2 (0.58) SPHK2ACE2CTRB1PREPL3MBTL1
SCHEMBL4602602 0.84 SPHK2 (0.58) SPHK2ACE2CTRB1PREPL3MBTL1
SCHEMBL5267939 0.84 SPHK2 (0.58) SPHK2ACE2CTRB1PREPL3MBTL1

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 4 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
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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