Oxalic Acid

Oxalic Acid

SCHEMBL7429490

CC(C)c1cccc2[nH]nc(C(N)=O)c12.O=C(O)C(=O)O

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 2/20 0.39
▸ TTK P33981 2/20 0.37
▸ PDPK1 O15530 2/20 0.36
▸ KDR P35968 3/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ YTHDC1 Q96MU7 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ CDK2 P24941 4/20 0.34
▸ FLT3 P36888 3/20 0.34
▸ CCNA2 P20248 2/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ CDK1 P06493 3/20 0.33
▸ PLK4 O00444 2/20 0.33
▸ AURKA O14965 2/20 0.33
▸ ROCK2 O75116 2/20 0.33
▸ CHEK2 O96017 2/20 0.33
▸ NTRK1 P04629 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
SCHEMBL4777030 0.96 MAP2K4 (0.41) MAP2K4TTKPDPK1KDRKDM4E
SCHEMBL7420704 0.85 KDM4E (0.39) TTKPDPK1KDRKDM4EHIF1A
SCHEMBL2723270 0.76 MAP2K4 (0.49) MAP2K4TTKKDRKDM4EHIF1A
SCHEMBL8877409 0.74 MAP2K4 (0.44) MAP2K4TTKPDPK1KDRKDM4E
SCHEMBL1648452 0.74 MAP2K4 (0.44) MAP2K4TTKPDPK1KDRKDM4E
SCHEMBL16252836 0.73 MAP2K4 (0.43) MAP2K4TTKPDPK1KDRKDM4E
SCHEMBL2021782 0.72 KDR (0.52) MAP2K4TTKPDPK1KDRKDM4E
SCHEMBL16475286 0.72 PDPK1 (0.56) PDPK1KDRKDM4ECDK2FLT3
SCHEMBL25696142 0.71 MAP2K4 (0.35) MAP2K4TTKKDM4EHIF1AMAPK1
Oxalic Acid SCHEMBL6033591 0.71 FLT3 (0.58) MAP2K4PDPK1KDM4EHIF1AYTHDC1

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
WO-1999017772-A1 5HT4 AGONISTS AND ANTAGONISTS ELI LILLY AND COMPANY (US) 1999-04-15 — — WO disclosed
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