SCHEMBL13201304

SCHEMBL13201304

O=C(O)[C@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.46
EPHX2 P34913 2/20 0.46
PKM P14618 2/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8319376 0.87 EPHX2 (0.48) POLBRAB9AHPGDNPC1EPHX2
SCHEMBL13201305 0.79 MMP8 (0.60) POLBRAB9AHPGDNPC1EPHX2
SCHEMBL8325154 0.79 ALDH1A1 (0.42) POLBNPC1ALDH1A1TSHRLMNA
SCHEMBL7971275 0.78 ACHE (0.48) NPC1EPHX2MEN1KMT2AALDH1A1
SCHEMBL8319435 0.76 MMP2 (0.48) ALDH1A1TSHRLMNAHTTSMN1; SMN2
SCHEMBL3719656 0.75 POLB (0.61) POLBRAB9AALDH1A1TDP1
SCHEMBL8320725 0.74 EPHX2 (0.42) EPHX2ALDH1A1LMNAHTTTDP1
SCHEMBL8320723 0.74 PSEN1 (0.43) POLBEPHX2MEN1KMT2AALDH1A1
SCHEMBL2964063 0.74 PSEN1 (0.43) POLBEPHX2MEN1KMT2AALDH1A1
SCHEMBL2969395 0.74 TDP1 (0.41) POLBMEN1KMT2AALDH1A1LMNA

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-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed