SCHEMBL6633571

SCHEMBL6633571

Cc1ccc(S(=O)(=O)N(c2ccc(OC(=O)N(C)C)cc2)[C@@](C)(C(=O)OC(C)(C)C)C(=O)C2CN(C(=O)OCc3ccccc3)CCN2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.38
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
CCR5 P51681 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
NPY2R P49146 2/20 0.34
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 1/20 0.33
STAT5B P51692 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGES O14684 1/20 0.33
STAT3 P40763 1/20 0.33

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
SCHEMBL3850286 0.81 P2RX7 (0.43) P2RX7MMP1MMP3MMP7MMP9
SCHEMBL6636214 0.80 ALDH1A1 (0.34) ALDH1A1MEN1LMNAKMT2APTGES
SCHEMBL4413833 0.78 P2RX7 (0.45) P2RX7MMP1MMP3MMP7MMP9
SCHEMBL6633734 0.78 ALDH1A1 (0.33) ALDH1A1MEN1KMT2APTGES
SCHEMBL6664426 0.78 ALDH1A1 (0.33) ALDH1A1MEN1LMNAKMT2APTGES
SCHEMBL8060247 0.76 P2RX7 (0.39) P2RX7MMP1MMP3MMP7MMP9
SCHEMBL6660613 0.73 NPY2R (0.35) MMP13GPR119NPY2RALDH1A1MEN1
SCHEMBL6633816 0.73 ALDH1A1 (0.38) NPY2RALDH1A1MEN1LMNAKMT2A
SCHEMBL6659012 0.72 NPY2R (0.35) MMP13GPR119NPY2RALDH1A1MEN1
SCHEMBL6666784 0.72 POLB (0.32) ALDH1A1

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