SCHEMBL7625129

SCHEMBL7625129

CCOC(=O)CNC(=O)c1ccc(CCC(CC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
EPHX2 P34913 2/20 0.45
PPARG P37231 2/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.43
MMP2 P08253 5/20 0.43
MMP3 P08254 5/20 0.43
MMP9 P14780 3/20 0.43
MMP13 P45452 2/20 0.43
MMP1 P03956 1/20 0.43
MMP8 P22894 1/20 0.43
MCHR1 Q99705 2/20 0.43
PPARA Q07869 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 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
SCHEMBL7630827 0.87 KMT2A (0.46) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7634952 0.87 MMP2 (0.48) MEN1KMT2AMAPTEPHX2PPARG
SCHEMBL7634674 0.82 SMN1; SMN2 (0.55) MEN1KMT2AMAPTEPHX2PPARG
SCHEMBL7626881 0.81 HSP90AA1 (0.44) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7627770 0.81 MCHR1 (0.58) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL19922906 0.79 MEN1 (0.52) MEN1KMT2AMAPTEPHX2PPARG
SCHEMBL7629877 0.78 MMP2 (0.43) MEN1KMT2AMAPTNPC1MMP2
SCHEMBL19922925 0.78 MEN1 (0.51) MEN1KMT2AMAPTEPHX2PPARG
SCHEMBL10898232 0.77 MEN1 (0.72) MEN1KMT2AMAPTEPHX2RAB9A
SCHEMBL7629870 0.76 MMP2 (0.45) MEN1KMT2ANPC1MMP2MMP3

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
EP-0907632-B1 INHIBITION OF MATRIX METALLOPROTEASES BY SUBSTITUTED PHENETHYL COMPOUNDS BAYER AG (US) 2002-12-11 EP disclosed