SCHEMBL11604698

SCHEMBL11604698

CCCC1(Cc2ccc(OC)cc2)NC(=O)NC1=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MMP2 P08253 8/20 0.58
MMP9 P14780 8/20 0.58
MMP8 P22894 7/20 0.58
MMP13 P45452 6/20 0.58
LMNA P02545 4/20 0.52
ADAM17 P78536 1/20 0.43
MMP3 P08254 1/20 0.42
MMP14 P50281 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE7A Q13946 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL11607926 0.88 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1MMP2MMP9MMP8
SCHEMBL11607483 0.83 SMN1; SMN2 (0.44) SMN1; SMN2NPSR1MMP2MMP9MMP8
SCHEMBL11608475 0.83 SMN1; SMN2 (0.44) SMN1; SMN2NPSR1MMP2MMP9MMP8
SCHEMBL11606565 0.82 ALDH1A1 (0.43) SMN1; SMN2NPSR1MMP2MMP9MMP8
SCHEMBL11607319 0.81 SMN1; SMN2 (0.42) SMN1; SMN2NPSR1MMP2MMP9MMP8
SCHEMBL542639 0.76 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1MMP2MMP9MMP8
SCHEMBL5443745 0.75 MMP2 (0.70) SMN1; SMN2NPSR1MMP2MMP9MMP8
SCHEMBL9050747 0.74 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1MMP2MMP9MMP8
SCHEMBL2138557 0.74 PDE7A (0.46) SMN1; SMN2NPSR1MMP2MMP9LMNA
SCHEMBL1971074 0.74 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1MMP2MMP9MMP8

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-4110470-A Pharmaceutical composition comprising d,l-α-methyl-thyroxine ethyl ester and the salts thereof and the control of cholesterol and triglyceride blood level therewith KUMMER HORST 1978-08-29 US disclosed