SCHEMBL30209253

SCHEMBL30209253

CCOC(=O)c1cc2c(nc(CCCl)n2CC2CCO2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.38
TSHR P16473 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
GAA P10253 6/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
GLA P06280 2/20 0.35
CNR2 P34972 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33

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
SCHEMBL30209316 0.92 FEN1 (0.39) FEN1TSHRSMN1; SMN2HSD17B10HPGD
SCHEMBL25789106 0.92 FEN1 (0.39) FEN1TSHRSMN1; SMN2HSD17B10HPGD
SCHEMBL25978729 0.89 TSHR (0.41) FEN1TSHRSMN1; SMN2HSD17B10HPGD
SCHEMBL28786538 0.86 PTGER4 (0.33) TSHRALDH1A1KDM4EGLAKMT2A
SCHEMBL24186662 0.84 ALDH1A1 (0.34) FEN1TSHRSMN1; SMN2HSD17B10HPGD
SCHEMBL24186664 0.82 ALDH1A1 (0.34) TSHRHSD17B10HPGDMAPK1CASP1
SCHEMBL24574883 0.82 ALDH1A1 (0.34) TSHRHSD17B10HPGDMAPK1CASP1
SCHEMBL25978721 0.80 KDM4E (0.36) FEN1TSHRSMN1; SMN2HSD17B10HPGD
SCHEMBL25789427 0.79 MMP13 (0.39) TSHRSMN1; SMN2HSD17B10HPGDHTT
SCHEMBL24574867 0.78 ALDH1A1 (0.34) TSHRHSD17B10HPGDMAPK1CASP1

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
CN-113831337-B GLP-1 receptor agonist, and pharmaceutical composition and use thereof 广州市恒诺康医药科技有限公司 2023-03-24 CN disclosed