SCHEMBL7444501

SCHEMBL7444501

COC(=O)[C@H](CN)NS(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.56
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
MMP2 P08253 9/20 0.55
MMP13 P45452 7/20 0.55
MMP1 P03956 6/20 0.55
MMP9 P14780 5/20 0.55
MMP8 P22894 3/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
MMP3 P08254 5/20 0.52
MMP7 P09237 1/20 0.51
LMNA P02545 2/20 0.49
HSD17B10 Q99714 2/20 0.49
BMP1 P13497 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL7444497 1.00 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1MMP2MMP13
SCHEMBL8093833 0.89 SLC1A3 (0.63) SLC1A3SLC1A2SLC1A1MMP2MMP13
Hydrochloric Acid SCHEMBL7653482 0.87 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1MMP2MMP13
SCHEMBL5639380 0.87 MMP2 (0.57) SLC1A3SLC1A2SLC1A1MMP2MMP13
SCHEMBL13643222 0.87 MMP2 (0.57) SLC1A3SLC1A2SLC1A1MMP2MMP13
SCHEMBL13639185 0.87 MMP2 (0.57) SLC1A3SLC1A2SLC1A1MMP2MMP13
SCHEMBL7344292 0.86 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1MMP2MMP13
SCHEMBL7344297 0.86 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1MMP2MMP13
SCHEMBL7461414 0.86 MMP13 (0.56) SLC1A3SLC1A2SLC1A1MMP2MMP13
SCHEMBL7397814 0.85 POLB (0.50) SLC1A3SLC1A2SLC1A1MMP2MMP13

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
WO-1999020606-A2 PIPERIDINES AND PIPERAZINES AS PLATELET AGGREGATION INHIBITORS J. URIACH & CIA. S.A. (ES) 1999-04-29 WO disclosed
WO-1998046599-A1 NOVEL CARBOXAMIDES AS PLATELET AGGREGATION INHIBITORS J. URIACH & CIA. S.A. (ES) 1998-10-22 WO disclosed