SCHEMBL2012363

SCHEMBL2012363

CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C2CCC(c3ccccc3)N(S(=O)(=O)c3ccccc3)C2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.52
EPHX2 P34913 3/20 0.47
STS P08842 3/20 0.46
MMP1 P03956 2/20 0.45
MMP9 P14780 2/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
SFRP1 Q8N474 2/20 0.44
MMP13 P45452 1/20 0.44
TGFBR1 P36897 1/20 0.43
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
TACR1 P25103 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 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
SCHEMBL12628525 1.00 USP30 (0.52) USP30EPHX2STSMMP1MMP9
SCHEMBL12628291 0.94 ALDH1A1 (0.44) USP30EPHX2STSMMP1MMP9
SCHEMBL2011799 0.86 KDM4E (0.51) STSMMP1MMP9MMP3MMP7
SCHEMBL2011798 0.86 KDM4E (0.51) STSMMP1MMP9MMP3MMP7
SCHEMBL12628193 0.86 KDM4E (0.51) STSMMP1MMP9MMP3MMP7
SCHEMBL2014458 0.85 KDM4E (0.56) STSTGFBR1
SCHEMBL12628178 0.85 KDM4E (0.56) STSTGFBR1
SCHEMBL12631614 0.84 ALDH1A1 (0.46) STSMMP1MMP9MMP3MMP7
SCHEMBL2013103 0.84 CCR5 (0.46) USP30SFRP1ALDH1A1RAB9AKMT2A
SCHEMBL2013487 0.83 ALDH1A1 (0.49) EPHX2ALDH1A1RAB9AKMT2A

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
WO-2011073269-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO claimed