SCHEMBL2237893

SCHEMBL2237893

N#Cc1ccc(S(=O)(=O)NCCC(N)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.53
LSS P48449 2/20 0.52
CYP19A1 P11511 2/20 0.51
MMP1 P03956 2/20 0.48
MMP2 P08253 2/20 0.48
MMP3 P08254 2/20 0.48
MMP7 P09237 2/20 0.48
MMP9 P14780 2/20 0.48
MMP13 P45452 2/20 0.48
EEF2K O00418 2/20 0.47
NAMPT P43490 1/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL13585476 1.00 TRPV4 (0.53) TRPV4LSSCYP19A1MMP1MMP2
SCHEMBL27888849 0.86 CYP19A1 (0.54) LSSCYP19A1MMP1MMP2MMP3
SCHEMBL1768570 0.86 CYP19A1 (0.54) LSSCYP19A1MMP1MMP2MMP3
SCHEMBL1768517 0.83 CA1 (0.63) MMP1MMP2MMP3MMP7MMP9
SCHEMBL2234191 0.83 CA1 (0.63) MMP1MMP2MMP3MMP7MMP9
SCHEMBL13585322 0.83 ALDH1A1 (0.54) CA12CA1CA2CA9
SCHEMBL2235887 0.83 ALDH1A1 (0.54) CA12CA1CA2CA9
SCHEMBL10373800 0.82 ALDH1A1 (0.44) LSSMMP1MMP2MMP3MMP7
SCHEMBL8023841 0.82 GBA1 (0.55) CA12CA2CA9
SCHEMBL1769777 0.81 DPP7 (0.44) TRPV4LSS

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN disclosed
CN-102712676-B There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing 波利弗尔股份公司 2016-10-26 CN disclosed
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 CN disclosed
EP-2531520-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY Polyphor AG (CH) 2012-12-12 EP disclosed
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 CN disclosed
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed