SCHEMBL4375129

SCHEMBL4375129

O=C(C=Cc1ccc(Cl)cc1)NCCc1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.78
NLRP3 Q96P20 1/20 0.78
MMP1 P03956 2/20 0.75
MMP2 P08253 2/20 0.75
MMP9 P14780 2/20 0.75
BCHE P06276 1/20 0.70
ACHE P22303 1/20 0.70
TAAR1 Q96RJ0 1/20 0.63
POLB P06746 1/20 0.61
RECQL P46063 1/20 0.61

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
SCHEMBL7372285 0.94 MAPT (0.86) MAPTNLRP3MMP1MMP2MMP9
N-P-Coumaroyl Tyramine SCHEMBL19551426 0.93 MMP1 (0.86) MAPTNLRP3MMP1MMP2MMP9
N-P-Coumaroyl Tyramine SCHEMBL2512193 0.93 MMP1 (0.86) MAPTNLRP3MMP1MMP2MMP9
SCHEMBL11572081 0.92 MAPT (0.66) MAPTNLRP3MMP1MMP2MMP9
SCHEMBL11572077 0.92 MAPT (0.66) MAPTNLRP3MMP1MMP2MMP9
SCHEMBL15970644 0.86 MMP1 (0.75) MAPTNLRP3MMP1MMP2MMP9
SCHEMBL15970642 0.86 MMP1 (0.75) MAPTNLRP3MMP1MMP2MMP9
SCHEMBL22702505 0.86 MMP1 (0.89) MAPTNLRP3MMP1MMP2MMP9
SCHEMBL7380044 0.86 MMP1 (0.89) MAPTNLRP3MMP1MMP2MMP9
SCHEMBL30977101 0.86 MMP1 (1.00) MAPTNLRP3MMP1MMP2MMP9

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
WO-2009016486-A2 USE OF NMDA RECEPTOR ANTAGONISTS FOR TREATMENT OF UROLOGIC TUMORS COMPUGEN, LTD (US) 2009-02-05 WO disclosed
WO-1997023202-A1 SUBTYPE-SELECTIVE NMDA RECEPTOR LIGANDS AND THE USE THEREOF STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALTH SCIENCES UNIVERSITYA ND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-07-03 WO disclosed