SCHEMBL8327337

SCHEMBL8327337

O=C(Nc1ccc(S(=O)(=O)N2C(C(=O)NO)C[C@H]3CCC[C@H]32)cc1)c1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
RAB9A P51151 3/20 0.58
MAPK1 P28482 1/20 0.58
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 1/20 0.54
POLB P06746 2/20 0.54
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 2/20 0.48
USP2 O75604 2/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46

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
SCHEMBL13201310 0.90 TSHR (0.60) TSHRSMN1; SMN2RAB9AMAPK1MEN1
SCHEMBL8320621 0.82 POLB (0.60) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL8328109 0.81 MEN1 (0.59) TSHRSMN1; SMN2RAB9AMAPK1MEN1
SCHEMBL13201342 0.80 MMP2 (0.52) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL13201315 0.78 MMP2 (0.46) TSHRMMP2MMP9MMP12
SCHEMBL8328602 0.78 MEN1 (0.56) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL8320651 0.78 MMP9 (0.62) MMP2MMP9MMP12
SCHEMBL8319573 0.77 MMP2 (0.44) KMT2AALDH1A1POLBLMNAMMP2
SCHEMBL2963202 0.77 MMP2 (0.48) POLBMMP2MMP9MMP12
SCHEMBL8319091 0.77 MMP9 (0.46) POLBMMP2MMP9MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
WO-2004060874-A1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO disclosed