SCHEMBL20366197

SCHEMBL20366197

NCC[C@H](N)C(=O)N[C@@H](C=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.52
CAPN1 P07384 5/20 0.50
MMP2 P08253 1/20 0.49
ACE P12821 1/20 0.49
CTSC P53634 2/20 0.47
CTSL P07711 1/20 0.46
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45

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
SCHEMBL23223533 0.91 MMP2 (0.62) CTSBCAPN1MMP2ACE
SCHEMBL21707852 0.89 ACE (0.59) CTSBCAPN1ACECTSCCTSL
SCHEMBL14623960 0.89 CTSB (0.54) CTSBCAPN1ACECTSCCTSL
SCHEMBL2740206 0.89 CTSB (0.54) CTSBCAPN1ACECTSCCTSL
SCHEMBL20204691 0.88 CTSC (0.58) CTSBCAPN1ACECTSCCTSL
SCHEMBL20204693 0.88 CTSC (0.58) CTSBCAPN1ACECTSCCTSL
SCHEMBL17521518 0.84 MMP2 (0.58) CTSBCAPN1MMP2ACECTSC
SCHEMBL3497501 0.84 CTSB (0.53) CTSBCAPN1ACECTSCCTSL
SCHEMBL19365037 0.84 CTSB (0.53) CTSBCAPN1ACECTSCCTSL
SCHEMBL17740064 0.83 MMP2 (0.55) CTSBMMP2CTSCCTSLALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018128826-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2018-07-12 WO disclosed