SCHEMBL6380741

SCHEMBL6380741

COc1ccc(CCCC2C(=O)NC(=O)NC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CALM1 P0DP23 1/20 0.46
LMNA P02545 1/20 0.45
DAO P14920 2/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
MMP13 P45452 2/20 0.44
ALOX5 P09917 1/20 0.43
NAAA Q02083 1/20 0.43
GLA P06280 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
IGF1R P08069 1/20 0.42
ALOX15 P16050 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
SCHEMBL19806741 0.91 DAO (0.50) NPSR1SMN1; SMN2CALM1LMNADAO
SCHEMBL3991257 0.85 NPSR1 (0.45) NPSR1SMN1; SMN2CALM1LMNADAO
SCHEMBL2673406 0.81 NPSR1 (0.58) NPSR1SMN1; SMN2MMP2MMP9MMP8
SCHEMBL9293716 0.76 LMNA (0.49) SMN1; SMN2LMNAMMP2MMP9
SCHEMBL6383003 0.74 F2RL1 (0.53) NPSR1SMN1; SMN2LMNAALOX5
SCHEMBL15055621 0.74 DAO (0.56) DAOTAAR1
SCHEMBL20394108 0.73 TDP1 (0.45) GSK3AGSK3B
SCHEMBL9402139 0.72 NPSR1 (0.51) NPSR1SMN1; SMN2LMNAMMP9GLA
SCHEMBL244070 0.72 CALM1 (0.79) CALM1ALOX5TAAR1IGF1RALOX15
SCHEMBL4254058 0.72 CALM1 (0.72) CALM1ALOX5TAAR1IGF1RALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0989982-B1 BARBITURIC ACID DERIVATIVES WITH ANTIMETASTATIC AND ANTITUMOR ACTIVITY ROCHE DIAGNOSTICS GMBH (DE) 2005-08-17 EP disclosed
US-6472396-B1 Barbituric acid derivatives, processes for their production and pharmaceutical agents containing these compounds ROCHE DIAGNOSTICS GMBH (DE) 2002-10-29 US disclosed
EP-0869947-B1 BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 2002-10-23 EP disclosed
US-6335332-B1 MATRIX METALLOPROTEASE INHIBITORS; CONTRACEPTIVES, ANTIINFLAMMATORY AGENTS ROCHE DIAGNOSTICS GMBH (DE) 2002-01-01 US disclosed
US-6110924-A MATRIX METALLOPROTEASE INHIBITORS ROCHE DIAGNOSTICS GMBH (DE) 2000-08-29 US disclosed