SCHEMBL3661539

SCHEMBL3661539

O=C(Cc1ccccc1)NCP(=O)(O)Oc1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.55
KDM4E B2RXH2 2/20 0.55
USP2 O75604 1/20 0.55
PDE3A Q14432 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 4/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 3/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ATM Q13315 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41

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
SCHEMBL1736660 0.77 NR4A2 (0.49) ALDH1A1USP2KMT2AMEN1SMN1; SMN2
Fosfosal SCHEMBL31252465 0.72 KDM4E (1.00) ALDH1A1HPGDKDM4EUSP2PDE3A
Fosfosal SCHEMBL23401 0.72 KDM4E (1.00) ALDH1A1HPGDKDM4EUSP2PDE3A
Fosfosal SCHEMBL28528238 0.71 KDM4E (0.96) ALDH1A1HPGDKDM4EUSP2PDE3A
Fosfosal SCHEMBL27241891 0.71 KDM4E (0.96) ALDH1A1HPGDKDM4EUSP2PDE3A
SCHEMBL11774367 0.71 NPC1 (0.54) ALDH1A1HPGDKDM4EKMT2ARAB9A
SCHEMBL2773525 0.70 KDM4E (0.75) ALDH1A1HPGDKDM4EUSP2PDE3A
SCHEMBL3661541 0.70 PLAU (0.48) ALDH1A1HPGDKMT2ARAB9AMEN1
SCHEMBL16011523 0.70 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EUSP2PDE3A
SCHEMBL1358287 0.68 KDM4E (0.59) ALDH1A1HPGDKDM4EUSP2PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2647629-B1 PYRAZOLE COMPOUNDS HAVING THERAPEUTIC EFFECT ON MULTIPLE MYELOMA NISSAN CHEMICAL IND LTD (JP) 2015-06-17 EP disclosed
EP-2647629-A1 PYRAZOLE COMPOUND HAVING THERAPEUTIC EFFECT ON MULTIPLE MYELOMA Nissan Chemical Industries, Ltd. (JP) 2013-10-09 EP disclosed
EP-2139482-A1 TREATMENT FOR MULTIPLE MYELOMA Ares Trading S.A. (CH) 2010-01-06 EP disclosed
WO-2008064866-A1 TREATMENT FOR MULTIPLE MYELOMA ARES TRADING S.A. (CH) 2008-06-05 WO disclosed
EP-1635806-A2 METHOD FOR TREATING ALCOHOLIC HEPATITIS UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-03-22 EP disclosed
WO-2005004857-A1 METHOD FOR TREATING ACUTE PANCREATITIS UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-01-20 WO disclosed
WO-2005002563-A2 METHOD FOR TREATING ALCOHOLIC HEPATITIS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCTION (US) 2005-01-13 WO disclosed
EP-1286676-A1 BISMUTH COMPOUNDS FOR THE TREATMENT AND PREVENTION OF MUCOSITIS Geltex Pharmaceuticals, Inc. (US) 2003-03-05 EP disclosed
WO-2001093878-A2 BISMUTH COMPOUNDS FOR THE TREATMENT AND PREVENTION OF MUCOSITIS GELTEX PHARMACEUTICALS, INC. (US) 2001-12-13 WO disclosed
WO-1999009145-A1 IDENTIFICATION OF SORTASE GENE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-02-25 WO disclosed