SCHEMBL30454412

SCHEMBL30454412

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RNASEH1 O60930 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ P2RX3 P56373 2/20 0.38
▸ KDM5A P29375 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ EDNRB P24530 2/20 0.35
▸ EDNRA P25101 2/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL24257810 1.00 RNASEH1 (0.40) RNASEH1ALDH1A1P2RX3KDM5AKDM4C
Glycine SCHEMBL29248942 0.94 RNASEH1 (0.37) RNASEH1ALDH1A1P2RX3KDM5AKDM4C
SCHEMBL30452343 0.89 RNASEH1 (0.47) RNASEH1ALDH1A1KDM4EGAAHPGD
SCHEMBL24257827 0.89 RNASEH1 (0.47) RNASEH1ALDH1A1KDM4EGAAHPGD
SCHEMBL24257456 0.85 EGLN1 (0.48) —
Glycine SCHEMBL30546853 0.84 TDP1 (0.39) ALDH1A1KDM4EGAATDP1SMN1; SMN2
SCHEMBL24257784 0.82 PPID (0.43) ALDH1A1KDM4EGAAHPGDTDP1
SCHEMBL30452335 0.82 PPID (0.43) ALDH1A1KDM4EGAAHPGDTDP1
Formic Acid SCHEMBL30454433 0.82 EGLN1 (0.45) —
SCHEMBL29248940 0.81 ALDH1A1 (0.35) ALDH1A1KDM5AKDM4CKDM4EGAA

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-116670131-A PHD inhibitor compounds, compositions, and methods of use 阿克比治疗有限公司 2023-08-29 — — CN disclosed
EP-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 — — EP disclosed
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