SCHEMBL7656836

SCHEMBL7656836

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC25A5 P05141 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
CCKBR P32239 1/20 0.31
SORT1 Q99523 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL7658136 0.88 SLC25A5 (0.42) SLC25A5ALDH1A1MAPTCCKBRSORT1
SCHEMBL7660452 0.83 CCKBR (0.39) ALDH1A1MAPTCCKBR
SCHEMBL7658228 0.80 EP300 (0.50) SLC25A5ALDH1A1GAA
SCHEMBL7664138 0.75 EP300 (0.53) SLC25A5ALDH1A1CCKBRGAA
SCHEMBL7833467 0.71 SLC25A5 (0.39) SLC25A5ALDH1A1CCKBRSORT1GAA
SCHEMBL7665537 0.65 EP300 (0.53) ALDH1A1MAPTCCKBRGAA
SCHEMBL7651075 0.65 EP300 (0.61) SLC25A5ALDH1A1GAA
SCHEMBL12729608 0.59 SLC25A5 (0.37) SLC25A5
SCHEMBL20686104 0.57 ABCB11 (0.32)
SCHEMBL13649105 0.57 SLC25A5 (0.35) SLC25A5MAPT

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 3 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 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