SCHEMBL3661541

SCHEMBL3661541

O=C(Cc1ccccc1)NCP(=O)(Oc1ccc(C(=O)O)cc1)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.48
ELANE P08246 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NPC1 O15118 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
SRD5A2 P31213 4/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL1736661 0.86 NR4A2 (0.50) NR4A2SRD5A2KMT2AMEN1ALDH1A1
SCHEMBL11774367 0.77 NPC1 (0.54) PLAUELANEHDAC3HDAC4HDAC1
SCHEMBL1736660 0.74 NR4A2 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9787426 0.73 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24359722 0.73 SRC (0.48) PLAUNPC1HPGDKMT2AMEN1
SCHEMBL2987983 0.72 NR4A2 (0.65) NPC1NR4A1NR4A2NR4A3SRD5A2
SCHEMBL4220649 0.71 NR4A2 (0.63) NPC1NR4A1NR4A2NR4A3SRD5A2
SCHEMBL11855588 0.70 LMNA (0.58) NPC1HPGDGAAPOLBKMT2A
SCHEMBL3661539 0.70 ALDH1A1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24544123 0.69 SRD5A2 (0.58) NR4A1NR4A2NR4A3SRD5A2PKM

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