SCHEMBL7607048

SCHEMBL7607048

C[C@H](N)C(=O)N(C(=O)OCc1ccccc1)[C@H]([C]=O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.41
CTSL P07711 5/20 0.40
CTSB P07858 5/20 0.40
CTSS P25774 5/20 0.40
CTSK P43235 5/20 0.40
ALDH1A1 P00352 2/20 0.40
LTA4H P09960 3/20 0.39
SLC15A1 P46059 2/20 0.39
LAP3 P28838 1/20 0.39

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
SCHEMBL9131026 0.86 ALDH1A1 (0.43) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL7606122 0.84 CTSB (0.43) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL724023 0.81 CTSK (0.44) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL28805500 0.81 SLC15A1 (0.45) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL28805499 0.81 SLC15A1 (0.45) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL8586153 0.81 CTSB (0.45) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL7375358 0.79 ABCB1 (0.55) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL11301781 0.79 SLC15A1 (0.42) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL7604639 0.79 SLC15A1 (0.43) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL27899925 0.79 ABCB1 (0.44) ABCB1CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1180115-A1 MINIMAL ISOLATION PEPTIDE SYNTHESIS PROCESS USING ION-EXCHANGE RESINS AS SCAVENGING AGENTS ABBOTT LABORATORIES (US) 2002-02-20 EP disclosed
WO-2000071569-A1 MINIMAL ISOLATION PEPTIDE SYNTHESIS PROCESS USING ION-EXCHANGE RESINS AS SCAVENGING AGENTS ABBOTT LABORATORIES (US) 2000-11-30 WO disclosed