SCHEMBL7658228

SCHEMBL7658228

CC(C)=CCN1C(=O)C(C(=O)CC(C)C)C(=O)N(Cc2ccccc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.50
SLC25A5 P05141 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
ELANE P08246 1/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
CTRC Q99895 1/20 0.40
CYP3A4 P08684 4/20 0.37
XIAP P98170 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL7651075 0.89 EP300 (0.61) EP300SLC25A5KMT2AMEN1HDAC6
SCHEMBL7658829 0.87 EP300 (0.53) EP300KMT2AMEN1HDAC6F2
SCHEMBL7664138 0.82 EP300 (0.53) EP300SLC25A5KMT2AMEN1HDAC6
SCHEMBL7651041 0.82 EP300 (0.45) EP300KMT2AMEN1HTTF2
SCHEMBL7660452 0.80 CCKBR (0.39) EP300ALDH1A1
SCHEMBL7655852 0.80 EP300 (0.46) EP300KMT2AMEN1GAAF2
SCHEMBL7656836 0.80 SLC25A5 (0.35) SLC25A5GAAALDH1A1
SCHEMBL11375405 0.74 EP300 (0.69) EP300KMT2AMEN1HDAC6F2
SCHEMBL7657008 0.73 EP300 (0.68) EP300KMT2AMEN1F2PLG
SCHEMBL7665537 0.73 EP300 (0.53) EP300KMT2AMEN1HDAC6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498164-B1 SUCH AS 1,3-DIBENZYL-5-(PHENYL- OR 2-THIENYL-ACETYL)BARBI-TURIC ACID; MALIGNANT HYPERCALCEMIA, OSTEOLYTIC DISEASES SUCH AS PAGET'S DISEASE, OSTEOPOROSIS, ARTICULAR RHEUMATISM OCCURRING IN KNEES, SHOULDERS, JOINTS AVENTIS PHARMA S.A. (FR) 2002-12-24 US claimed
US-6498164-B1 SUCH AS 1,3-DIBENZYL-5-(PHENYL- OR 2-THIENYL-ACETYL)BARBI-TURIC ACID; MALIGNANT HYPERCALCEMIA, OSTEOLYTIC DISEASES SUCH AS PAGET'S DISEASE, OSTEOPOROSIS, ARTICULAR RHEUMATISM OCCURRING IN KNEES, SHOULDERS, JOINTS AVENTIS PHARMA S.A. (FR) 2002-12-24 US disclosed
EP-1064269-A1 BARBITURIC ACID DERIVATIVE AND PREVENTIVE AND THERAPEUTIC AGENT FOR BONE AND CARTILAGE CONTAINING THE SAME Hoechst Marion Roussel (FR) 2001-01-03 EP disclosed
WO-1999050252-A2 BARBITURIC ACID DERIVATIVE AND PREVENTIVE AND THERAPEUTIC AGENT FOR BONE AND CARTILAGE CONTAINING THE SAME HOECHST MARION ROUSSEL (FR) 1999-10-07 WO disclosed