SCHEMBL29057142

SCHEMBL29057142

CCOc1c(C(=O)O)ccc(NC2CCOCC2)c1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.42
PRMT5 O14744 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 1/20 0.37
CREBBP Q92793 1/20 0.37
MAPK1 P28482 2/20 0.36
BRD4 O60885 1/20 0.35
EZH2 Q15910 1/20 0.35

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
SCHEMBL30339009 1.00 PDE4B (0.42) PDE4BPRMT5TRPV1KDM4EALDH1A1
SCHEMBL24074254 0.75 MAPT (0.44) PDE4BTRPV1KDM4EALDH1A1HSD17B10
SCHEMBL30338987 0.75 MAPT (0.44) PDE4BTRPV1KDM4EALDH1A1HSD17B10
SCHEMBL6108137 0.74 SMN1; SMN2 (0.44) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL28274071 0.73 HSD17B10 (0.48) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL17559355 0.72 NPSR1 (0.57) PRMT5ALDH1A1HPGDHSD17B10
SCHEMBL23901157 0.71 OPRK1 (0.53) PDE4BL3MBTL1ALOX15
SCHEMBL31391653 0.69 GRIK1 (0.49) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL27858196 0.69 TSHR (0.48) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL2591866 0.69 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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-116472292-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2023-07-21 CN disclosed