SCHEMBL9830992

SCHEMBL9830992

C[C@H](NC(=O)c1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
HRH4 Q9H3N8 1/20 0.54
ELANE P08246 2/20 0.53
CTSB P07858 3/20 0.53
CTSV O60911 1/20 0.53
CTSL P07711 1/20 0.53
CTSS P25774 1/20 0.53
BACE1 P56817 1/20 0.53
CAPN1 P07384 1/20 0.51
MME P08473 7/20 0.50
ACE P12821 4/20 0.50
CPA1 P15085 4/20 0.50
ACE2 Q9BYF1 4/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL9830982 1.00 MEN1 (0.58) MEN1KMT2AHRH4ELANECTSB
SCHEMBL9716712 0.89 ELANE (0.64) MEN1KMT2AHRH4ELANECTSB
SCHEMBL10658026 0.89 ELANE (0.64) MEN1KMT2AHRH4ELANECTSB
SCHEMBL12518059 0.86 BACE1 (0.61) MEN1KMT2AELANECTSBCTSV
SCHEMBL30291662 0.83 CTSB (0.56) MEN1KMT2AHRH4ELANECTSB
SCHEMBL7648431 0.81 ELANE (0.59) MEN1KMT2AELANECTSBCTSV
SCHEMBL9829713 0.81 ACE (0.60) CTSLCTSSMMEACECPA1
SCHEMBL9829719 0.81 ACE (0.60) CTSLCTSSMMEACECPA1
SCHEMBL7646585 0.81 CTSB (0.58) MEN1KMT2AELANECTSBCTSV
SCHEMBL2405015 0.80 PLK1 (0.60) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed