SCHEMBL7087789

SCHEMBL7087789

CC(C)[C@@H](CS(=O)(=O)N1CCN(c2ncc(-c3ccccc3C#N)cn2)CC1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.34
PPARA Q07869 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSS P25774 1/20 0.32
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
IDH1 O75874 4/20 0.31
RORC P51449 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7087788 1.00 RET (0.34) RETPPARACTDSP1TDP1L3MBTL1
SCHEMBL6977106 0.90 KIT (0.34) RETPPARAL3MBTL1CTSSMMP13
SCHEMBL6787549 0.90 KIT (0.34) RETPPARAL3MBTL1CTSSMMP13
SCHEMBL6787552 0.90 KIT (0.34) RETPPARAL3MBTL1CTSSMMP13
SCHEMBL6782024 0.86 LMNA (0.34) PPARAMMP13MMP14KDM4EALDH1A1
SCHEMBL6865711 0.86 PPARA (0.34) PPARAIDH1RORC
SCHEMBL6782020 0.86 LMNA (0.34) PPARAMMP13MMP14KDM4EALDH1A1
SCHEMBL6865714 0.86 PPARA (0.34) PPARAIDH1RORC
SCHEMBL6786363 0.85 IDH1 (0.37) PPARACTSSKMT2AKDM4EALDH1A1
SCHEMBL6786359 0.85 IDH1 (0.37) PPARACTSSKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282614-A1 HYDROXAMIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2003-02-12 EP disclosed
WO-2001087870-A1 HYDROXAMIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2001-11-22 WO disclosed