SCHEMBL7839682

SCHEMBL7839682

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ABCB11 O95342 1/20 0.36
PTGS1 P23219 1/20 0.36
EP300 Q09472 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
FAAH O00519 2/20 0.33
DPP4 P27487 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL7651041 0.85 EP300 (0.45) LMNAABCB11PTGS1EP300MEN1
SCHEMBL7658829 0.81 EP300 (0.53) LMNAABCB11PTGS1EP300MEN1
SCHEMBL7660452 0.76 CCKBR (0.39) LMNAABCB11PTGS1EP300MAPT
SCHEMBL11375845 0.74 EP300 (0.50) EP300MEN1KMT2AMAPTPOLB
SCHEMBL11375289 0.71 EP300 (0.50) EP300MEN1KMT2AHPGDPOLB
SCHEMBL7655852 0.69 EP300 (0.46) LMNAEP300MEN1KMT2AHPGD
SCHEMBL7658228 0.68 EP300 (0.50) EP300MEN1KMT2AHTTALDH1A1
SCHEMBL7657008 0.67 EP300 (0.68) LMNAEP300MEN1KMT2AHPGD
SCHEMBL10517143 0.66 MAPT (0.52) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL7665570 0.66 MAPT (0.39) MEN1KMT2AHPGDMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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