Oxalic Acid

Oxalic Acid

SCHEMBL7429480

CC(C)NC(=O)c1n[nH]c2ccccc12.O=C(O)C(=O)O

nearest known ligand 0.66

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 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ YTHDC1 Q96MU7 1/20 0.64
▸ FLT3 P36888 6/20 0.61
▸ CDK2 P24941 2/20 0.61
▸ CCNA2 P20248 1/20 0.61
▸ CCNA1 P78396 1/20 0.61
▸ KDM4E B2RXH2 3/20 0.60
▸ STAT3 P40763 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ IDO1 P14902 1/20 0.58
▸ DYRK1A Q13627 4/20 0.57
▸ WNT1 P04628 1/20 0.57
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.54
▸ EPHB3 P54753 1/20 0.52
▸ MAP4K1 Q92918 1/20 0.52

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
SCHEMBL2704442 0.96 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2YTHDC1FLT3CDK2
SCHEMBL8714399 0.82 HTT (0.74) SMN1; SMN2CYP1A2YTHDC1FLT3CDK2
SCHEMBL31571485 0.81 KDM4E (0.58) SMN1; SMN2CYP1A2YTHDC1FLT3CDK2
SCHEMBL18851945 0.81 YTHDC1 (0.61) SMN1; SMN2CYP1A2YTHDC1FLT3CDK2
SCHEMBL31445444 0.80 YTHDC1 (0.59) SMN1; SMN2YTHDC1FLT3CDK2CCNA2
SCHEMBL19884728 0.80 YTHDC1 (0.59) SMN1; SMN2CYP1A2YTHDC1FLT3CDK2
SCHEMBL30036108 0.79 YTHDC1 (1.00) SMN1; SMN2YTHDC1FLT3CDK2CCNA2
SCHEMBL2723267 0.79 YTHDC1 (1.00) SMN1; SMN2YTHDC1FLT3CDK2CCNA2
SCHEMBL30398090 0.76 FLT3 (1.00) SMN1; SMN2YTHDC1FLT3CDK2CCNA2
SCHEMBL951125 0.76 FLT3 (1.00) SMN1; SMN2YTHDC1FLT3CDK2CCNA2

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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