SCHEMBL11269799

SCHEMBL11269799

CCCC1(CCC=O)C(=O)NC(=O)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MMP9 P14780 7/20 0.38
MMP2 P08253 6/20 0.38
MMP8 P22894 4/20 0.38
MMP13 P45452 4/20 0.38
ALDH1A1 P00352 4/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP3 P08254 1/20 0.36
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
GABRB3 P28472 1/20 0.34
OPRD1 P41143 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
TSHR P16473 2/20 0.33

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
SCHEMBL2887982 0.85 LMNA (0.64) LMNAMMP9MMP2MMP8MMP13
SCHEMBL4889487 0.77 LMNA (0.73) LMNAMMP9MMP2MMP8MMP13
SCHEMBL11721680 0.76 ALDH1A1 (0.48) LMNAMMP9MMP2MMP8MMP13
SCHEMBL11308156 0.76 MMP9 (0.39) LMNAMMP9TP53
SCHEMBL1683293 0.73 LMNA (0.58) LMNAMMP9MMP2MMP8MMP13
SCHEMBL468545 0.69 MMP9 (0.67) LMNAMMP9MMP2MMP8MMP13
SCHEMBL5450754 0.69 MMP9 (0.67) LMNAMMP9MMP2MMP8MMP13
Barbital SCHEMBL7348703 0.68 LMNA (0.90) LMNAMMP9MMP2MMP8MMP13
SCHEMBL12014051 0.68 LMNA (0.50) LMNAMMP9MMP2MMP8MMP13
Barbital SCHEMBL43818 0.67 LMNA (1.00) LMNAMMP9MMP2MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4344956-A Oxotetrahydrothiophenes ERCOLI NICOLO 1982-08-17 US disclosed