SCHEMBL30915501

SCHEMBL30915501

O=C(NN[C@@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CA2 P00918 4/20 0.53
PTPN1 P18031 3/20 0.52
ADAMTS5 Q9UNA0 2/20 0.52
MMP2 P08253 1/20 0.52
PTGS2 P35354 2/20 0.51
CA1 P00915 2/20 0.50
CTSL P07711 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
ADAMTS4 O75173 1/20 0.48
GPR34 Q9UPC5 1/20 0.47
PYGL P06737 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACE P12821 1/20 0.47

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
SCHEMBL5162484 0.90 ACE (0.56) CA2PTPN1CA1CTSLACE
SCHEMBL5162493 0.90 ACE (0.56) CA2PTPN1CA1CTSLACE
SCHEMBL30915496 0.86 ALDH1A1 (0.55) NPC1RAB9ACA2PTPN1CA1
SCHEMBL1305154 0.85 PTPN1 (0.70) CA2PTPN1CA1CTSLKDM4E
SCHEMBL8510030 0.85 PTPN1 (0.70) CA2PTPN1CA1CTSLKDM4E
SCHEMBL7372269 0.83 TDP1 (0.55) RAB9ACA2PTPN1PTGS2CA1
SCHEMBL7387190 0.83 TDP1 (0.55) RAB9ACA2PTPN1PTGS2CA1
SCHEMBL30915498 0.82 PLAU (0.60) NPC1RAB9ACA2PTPN1MMP2
SCHEMBL4359915 0.81 CTSL (0.64) CA2PTPN1CA1CTSLPYGL
SCHEMBL27679107 0.81 CTSL (0.64) CA2PTPN1CA1CTSLPYGL

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-4615855-A2 NEW ANTIBACTERIAL PRODUCTS University of Liverpool (GB) 2025-09-17 EP disclosed
WO-2024100391-A2 NEW ANTIBACTERIAL PRODUCTS UNIVERSITY OF LIVERPOOL (GB) 2024-05-16 WO disclosed