SCHEMBL7268032

SCHEMBL7268032

CC(C)(C)[Si](C)(C)O[C@H](CC1CCCCC1)[C@H](OCc1ccccc1)[C@@H](O)CN1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.37
CTSS P25774 3/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
REN P00797 10/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL7266047 0.91 KMT2A (0.36) KMT2AGAAMEN1CTSSCTSL
SCHEMBL7276562 0.85 REN (0.35) CTSSCTSLCTSBRENMMP1
SCHEMBL7276447 0.82 KMT2A (0.45) KMT2AGAAMEN1CTSSCTSL
SCHEMBL7275138 0.73 CTSS (0.34) CTSSCTSLCTSBRENMMP1
SCHEMBL7273429 0.73 HTR2C (0.34) CTSSCTSLCTSBREN
SCHEMBL7268038 0.70 CTSS (0.36) CTSSCTSLCTSBREN
SCHEMBL9082105 0.67 HTT (0.34) KMT2AGAACTSSCTSLPOLB
SCHEMBL7266054 0.66 CTSS (0.36) CTSSCTSLCTSBRENMMP1
SCHEMBL7278327 0.66 CASP1 (0.45) CTSSCTSLCTSBREN
SCHEMBL14747381 0.63 CA1 (0.41) KMT2APOLB

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 7 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
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
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP disclosed