SCHEMBL28554116

SCHEMBL28554116

CCOC(=O)C(CC(=O)O)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.51
CTSL P07711 1/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
ADAMTS4 O75173 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
MMP13 P45452 4/20 0.47
MMP2 P08253 4/20 0.47
MMP3 P08254 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL30988968 1.00 GAA (0.55) GAAKMT2ATDP1CTSLALDH1A1
SCHEMBL28560480 0.89 KMT2A (0.55) GAAKMT2ATDP1CTSLALDH1A1
SCHEMBL7007380 0.86 MMP9 (0.56) GAAKMT2ATDP1CTSLALDH1A1
SCHEMBL8430816 0.86 GAA (0.52) GAAKMT2ATDP1CTSLALDH1A1
SCHEMBL4339865 0.85 TDP1 (0.63) TDP1ALDH1A1ADAMTS4SLC1A3SLC1A2
SCHEMBL698842 0.85 TDP1 (0.63) TDP1ALDH1A1ADAMTS4SLC1A3SLC1A2
SCHEMBL698843 0.85 TDP1 (0.63) TDP1ALDH1A1ADAMTS4SLC1A3SLC1A2
SCHEMBL30988973 0.85 TDP1 (0.48) GAAKMT2ATDP1CTSLALDH1A1
SCHEMBL14011605 0.84 GAA (0.52) GAAKMT2ATDP1CTSLALDH1A1
SCHEMBL7835649 0.84 GAA (0.52) GAAKMT2ATDP1CTSLALDH1A1

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
CN-112574087-B Synthetic method of 3-aminopyrrolidine hydrochloride 南京杰运医药科技有限公司 2022-07-26 CN disclosed
CN-112574087-A Synthetic method of 3-aminopyrrolidine hydrochloride 南京杰运医药科技有限公司 2021-03-30 CN disclosed