SCHEMBL7275909

SCHEMBL7275909

C[C@H](NC1(C(=O)OCc2ccccc2)CCCCC1)C(=O)O.Cc1cc(C)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.40
CTSL P07711 4/20 0.40
CTSB P07858 3/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSK P43235 4/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL8153063 0.87 CTSL (0.49) CTSSCTSLCTSBALDH1A1CTSK
SCHEMBL7273501 0.87 CTSL (0.49) CTSSCTSLCTSBALDH1A1CTSK
SCHEMBL7275326 0.79 CTSL (0.48) CTSSCTSLCTSBALDH1A1MAPT
SCHEMBL15461488 0.79 CTSL (0.52) CTSSCTSLCTSBALDH1A1CTSK
SCHEMBL15461470 0.77 CTSB (0.50) CTSSCTSLCTSBALDH1A1CTSK
SCHEMBL7267638 0.74 CTSB (0.48) CTSSCTSLCTSBALDH1A1CTSK
SCHEMBL7276396 0.74 CTSB (0.47) CTSSCTSLCTSBALDH1A1CTSK
SCHEMBL7429160 0.73 MME (0.43) CTSSCTSLCTSBALDH1A1MAPT
SCHEMBL7275912 0.72 ENPP2 (0.42) ALDH1A1
SCHEMBL12661032 0.71 CTSL (0.54) CTSSCTSLCTSBALDH1A1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309766-B1 N-acylamino acid derivatives and their use BANYU PHARMA CO LTD (JP) 1998-04-15 EP disclosed
US-5506356-A RENIN INHIBITORS; HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 US disclosed
US-5481036-A RENIN INHIBITORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US disclosed
US-5319082-A N-acylamino acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-06-07 US disclosed
EP-0272583-B1 5-SUBSTITUTED AMINO-4-HYDROXY-PENTENOIC ACID DERIVATIVES AND THEIR USE Banyu Pharmaceutical Co., Ltd. (JP) 1993-09-15 EP disclosed
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 US disclosed
US-5122523-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-06-16 US disclosed
US-4927565-A HYPOTENSIVE AGENT BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-05-22 US disclosed
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP disclosed
EP-0272583-A2 5-Substituted amino-4-hydroxy-pentenoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-06-29 EP disclosed