SCHEMBL29248940

SCHEMBL29248940

Cc1cc(CCOCc2ccccc2)c(OC(=O)CN)c(C(=O)O)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTGER1 P34995 1/20 0.32
▸ EDNRB P24530 1/20 0.32
▸ EDNRA P25101 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
Glycine SCHEMBL29248942 0.83 RNASEH1 (0.37) ALDH1A1SMN1; SMN2KDM4EHPGDKDM5A
SCHEMBL24257810 0.81 RNASEH1 (0.40) ALDH1A1SMN1; SMN2KDM4EHPGDKDM5A
SCHEMBL30454412 0.81 RNASEH1 (0.40) ALDH1A1SMN1; SMN2KDM4EHPGDKDM5A
Glycine SCHEMBL30546853 0.75 TDP1 (0.39) ALDH1A1SMN1; SMN2KDM4EGAATDP1
SCHEMBL24257827 0.73 RNASEH1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDGAA
SCHEMBL30452343 0.73 RNASEH1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDGAA
SCHEMBL24257456 0.70 EGLN1 (0.48) —
SCHEMBL24257784 0.69 PPID (0.43) ALDH1A1KDM4EHPGDGAATDP1
SCHEMBL30452335 0.69 PPID (0.43) ALDH1A1KDM4EHPGDGAATDP1
SCHEMBL23043892 0.69 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRHTT

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-116670131-A PHD inhibitor compounds, compositions, and methods of use 阿克比治疗有限公司 2023-08-29 — — CN disclosed
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