SCHEMBL6635534

SCHEMBL6635534

Cc1ccc(S(=O)(=O)N(c2ccc(OC(=O)N(C)C)cc2)[C@@](C)(C(=O)OC(C)C)C(=O)[C@H]2NC(C)(C)CS2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
PTGES O14684 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6635177 0.94 USP2 (0.32) ALDH1A1PTGESMMP2MMP9MMP14
SCHEMBL6631926 0.93 USP2 (0.33) ALDH1A1MMP2MMP9MMP14MAPT
SCHEMBL6633485 0.92
SCHEMBL6634428 0.91 ALDH1A1 (0.33) ALDH1A1PTGESKDM4EHSP90AA1MAPT
SCHEMBL6633703 0.90 ALDH1A1 (0.37) ALDH1A1PTGESKDM4EHSP90AA1MAPT
SCHEMBL6633579 0.90 HSD11B1 (0.32)
SCHEMBL6634581 0.89
SCHEMBL6633406 0.89
SCHEMBL6634608 0.89 KMT2A (0.34) ALDH1A1MEN1KMT2A
SCHEMBL6637448 0.88 NR1H2 (0.32) MEN1KMT2A

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-1000051-B1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2004-05-19 EP claimed