SCHEMBL30902885

SCHEMBL30902885

C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.58
MMP9 P14780 1/20 0.53
REN P00797 1/20 0.52
CAPN1 P07384 1/20 0.52
PSMB8 P28062 1/20 0.51
PSMB9 P28065 1/20 0.51
PSMB5 P28074 1/20 0.51
CTSB P07858 3/20 0.50
CTSS P25774 3/20 0.50
CTSL P07711 2/20 0.50
MME P08473 1/20 0.50
ECE1 P42892 1/20 0.50
CYP1A2 P05177 1/20 0.50
CASP1 P29466 1/20 0.49

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
SCHEMBL30902886 1.00 CTSK (0.58) CTSKMMP9RENCAPN1PSMB8
SCHEMBL21523352 0.92 MME (0.55) CTSKMMP9RENCAPN1PSMB8
SCHEMBL21523353 0.92 MME (0.55) CTSKMMP9RENCAPN1PSMB8
SCHEMBL20323161 0.92 MME (0.55) CTSKMMP9RENCAPN1PSMB8
SCHEMBL14433707 0.91 MME (0.59) CTSKCAPN1PSMB8PSMB9PSMB5
SCHEMBL4430771 0.91 MME (0.59) CTSKCAPN1PSMB8PSMB9PSMB5
SCHEMBL7155003 0.91 MME (0.59) CTSKCAPN1PSMB8PSMB9PSMB5
SCHEMBL29453232 0.90 MME (0.58) CTSKCAPN1PSMB8PSMB9PSMB5
SCHEMBL18342569 0.90 CTSK (0.55) CTSKRENCAPN1PSMB8PSMB9
SCHEMBL20263594 0.90 CTSK (0.55) CTSKRENCAPN1PSMB8PSMB9

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-2024105205-A1 ANTIBODY-DRUG CONJUGATES (A2DCS) WITH ENZYMATICALLY CLEAVABLE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-23 WO disclosed