SCHEMBL4649130

SCHEMBL4649130

NC(=O)CC[C@@H](C(=O)O)N(Cc1ccc(N)cc1)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
F7 P08709 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
PTGES O14684 3/20 0.37
ALOX5 P09917 3/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
RORC P51449 1/20 0.36
TPH1 P17752 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
PPARD Q03181 1/20 0.35
SRR Q9GZT4 1/20 0.35
PSAT1 Q9Y617 1/20 0.35

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
SCHEMBL2246642 0.86 MMP12 (0.41) MMP2ALDH1A1MAPTHPGDPTGES
SCHEMBL3591193 0.85 ADAMTS4 (0.41) MMP2MMP9PTGESRORC
SCHEMBL3584964 0.84 F7 (0.44) F7PTGESALOX5
SCHEMBL3588588 0.83 ALOX5 (0.52) PTGESALOX5
SCHEMBL4371351 0.82 KMT2A (0.40) ALDH1A1HDAC1HDAC3KDM4E
SCHEMBL3577149 0.81 FFAR1 (0.48) PTGESALOX5
SCHEMBL3585006 0.81 ACACB (0.44) MMP2MMP9PTGESKDM4E
SCHEMBL2247826 0.80 TP53 (0.45) ALDH1A1MAPTHPGD
SCHEMBL3588841 0.79 FFAR1 (0.47) PTGESALOX5
SCHEMBL5651674 0.79 OXTR (0.46) HDAC1HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO disclosed