SCHEMBL4621111

SCHEMBL4621111

COc1ccc(CCS(=O)(=O)N[C@@H](C)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.56
MMP13 P45452 2/20 0.56
MMP12 P39900 1/20 0.56
ALDH1A1 P00352 5/20 0.49
LDHA P00338 1/20 0.49
F2RL1 P55085 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
POLB P06746 2/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP14 P50281 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ADAMTS4 O75173 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL4620227 1.00 MMP8 (0.56) MMP8MMP13MMP12ALDH1A1LDHA
SCHEMBL4620781 1.00 MMP8 (0.56) MMP8MMP13MMP12ALDH1A1LDHA
SCHEMBL4620668 0.84 AKR1C3 (0.48) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL4622370 0.84 AKR1C3 (0.48) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL4620658 0.84 AKR1C3 (0.48) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL4621599 0.84 MMP8 (0.51) MMP8MMP13MMP12ALDH1A1KMT2A
SCHEMBL4621065 0.84 MMP8 (0.51) MMP8MMP13MMP12ALDH1A1KMT2A
SCHEMBL4619221 0.84 MMP8 (0.51) MMP8MMP13MMP12ALDH1A1KMT2A
SCHEMBL4621091 0.84 MMP13 (0.54) MMP8MMP13MMP12ALDH1A1LDHA
SCHEMBL4621745 0.84 MMP13 (0.54) MMP8MMP13MMP12ALDH1A1LDHA

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-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 EP disclosed