SCHEMBL16079372

SCHEMBL16079372

CCOC(=O)CC(NCc1ccccc1)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.54
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MMP8 P22894 2/20 0.47
EPHX2 P34913 1/20 0.45
PPARG P37231 1/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
PDE5A O76074 1/20 0.42
NAMPT P43490 1/20 0.42
PIN1 Q13526 1/20 0.42
ATM Q13315 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
SCHEMBL9554766 0.91 PPID (0.54) PPIDALDH1A1TSHRSMN1; SMN2MMP8
SCHEMBL16077521 0.90 MEN1 (0.48) PPIDALDH1A1TSHRMMP8MEN1
SCHEMBL30988969 0.90 SMN1; SMN2 (0.49) PPIDSMN1; SMN2MMP8EPHX2PPARG
SCHEMBL4560664 0.85 PDCD1 (0.55) PPIDSMN1; SMN2MMP8EPHX2PPARG
SCHEMBL30354719 0.85 PDCD1 (0.55) PPIDSMN1; SMN2MMP8EPHX2PPARG
SCHEMBL1931193 0.85 MMP8 (0.56) PPIDSMN1; SMN2MMP8EPHX2PPARG
SCHEMBL13915549 0.85 MMP8 (0.56) PPIDSMN1; SMN2MMP8EPHX2PPARG
SCHEMBL14265369 0.84 SMN1; SMN2 (0.55) PPIDALDH1A1TSHRSMN1; SMN2MMP8
SCHEMBL1780144 0.84 SMN1; SMN2 (0.49) PPIDSMN1; SMN2MMP8EPHX2PPARG
SCHEMBL10482405 0.84 SMN1; SMN2 (0.55) PPIDALDH1A1TSHRSMN1; SMN2MMP8

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-20140275407-A1 ASPARTIC RESINS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2014-09-18 US disclosed