SCHEMBL7715008

SCHEMBL7715008

COc1cc(NC(=O)CC[C@H](N)C(=O)O)cc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 15/20 0.55
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6820163 0.91 LTA4H (0.55) LTA4HKDM4EALDH1A1NPSR1RXFP1
SCHEMBL6820161 0.91 LTA4H (0.55) LTA4HKDM4EALDH1A1NPSR1RXFP1
SCHEMBL2179155 0.84 KDM4E (0.51) KDM4EALDH1A1NPSR1RXFP1NPC1
SCHEMBL1404234 0.82 LTA4H (0.42) LTA4HKDM4EALDH1A1RXFP1
Benzene SCHEMBL6822148 0.82 MMP2 (0.47) KDM4EALDH1A1NPSR1RXFP1NPC1
SCHEMBL9115646 0.82 TNIK (0.43) LTA4HKDM4EALDH1A1NPSR1RXFP1
SCHEMBL9185732 0.80 ALDH1A1 (0.52) KDM4EALDH1A1NPSR1RXFP1NPC1
SCHEMBL6818486 0.79 MMP2 (0.44) KDM4EALDH1A1NPSR1RXFP1NPC1
SCHEMBL29687817 0.78 LTA4H (0.70) LTA4HKDM4EALDH1A1NPC1RAB9A
SCHEMBL10908490 0.78 LTA4H (0.70) LTA4HKDM4EALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6379925-B1 A NUCLEIC ACID ENCODING A PROTEIN; THERAPY FOR HEMANGIOMAS, KAPOSI'S SARCOMA, ISCHEMIC DISORDERS AND WOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2002-04-30 US disclosed
WO-1998057621-A1 ANGIOGENIC MODULATION BY NOTCH SIGNAL TRANSDUCTION THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OFNEW YORK (US) 1998-12-23 WO disclosed
US-5089394-A Neisseria detection system E-Y LABORATORIES, INC. (US) 1992-02-18 US disclosed
EP-0122023-A1 Microorganisms detection methods and the separation of agglutinated microorganisms, and a kit for use therein E-Y LABORATORIES, INC. (US) 1984-10-17 EP disclosed
EP-0122028-A1 Colorimetric assay for enzymes, diagnostic article therefor and a method for forming such article E-Y LABORATORIES, INC. (US) 1984-10-17 EP disclosed