SCHEMBL14345501

SCHEMBL14345501

CCCCOC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)OCO3)nc2ccnn12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.62
MMP3 P08254 2/20 0.62
MMP13 P45452 2/20 0.62
MMP8 P22894 1/20 0.62
MMP12 P39900 1/20 0.62
ALDH1A1 P00352 7/20 0.39
MAPK1 P28482 4/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 5/20 0.38
TP53 P04637 1/20 0.38
CNR2 P34972 3/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
POLB P06746 2/20 0.37
APOBEC3A P31941 1/20 0.37
ESR2 Q92731 1/20 0.37
HSD17B10 Q99714 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10166856 0.89 ADAMTS4 (0.65) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167211 0.89 ADAMTS4 (0.77) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL13161184 0.89 ADAMTS4 (0.69) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL13185641 0.85 ADAMTS4 (0.77) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167821 0.85 ADAMTS4 (0.77) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL14470033 0.82 ADAMTS4 (0.66) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL14468358 0.81 MMP13 (0.53) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10166567 0.81 MMP13 (0.63) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL8247095 0.80 ADAMTS4 (0.63) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10162022 0.80 ADAMTS4 (0.63) ADAMTS4MMP3MMP13MMP8MMP12

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
WO-2007139860-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed