Oxalic Acid

Oxalic Acid

SCHEMBL7868023

CCN1CC=C(c2csc3cccc(C#N)c23)CC1.O=C(O)C(=O)O

nearest known ligand 0.42

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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
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 2/20 0.38
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
HTR1F P30939 2/20 0.36
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.34
HTR1D P28221 2/20 0.34
MEN1 O00255 1/20 0.34
ATM Q13315 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 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
Oxalic Acid SCHEMBL7864973 0.84 KDM4E (0.43) KMT2ASMN1; SMN2KDM4ELMNAALOX15
Oxalic Acid SCHEMBL7864882 0.80 KDM4E (0.55) KMT2ASMN1; SMN2KDM4ELMNAALOX15
Oxalic Acid SCHEMBL7870914 0.79 KMT2A (0.45) KMT2ASMN1; SMN2KDM4ELMNAALOX15
Oxalic Acid SCHEMBL7867561 0.78 HTR1D (0.40) KMT2ASMN1; SMN2KDM4ELMNAALOX15
Oxalic Acid SCHEMBL7865012 0.78 SLC6A4 (0.40) KMT2ASMN1; SMN2KDM4ELMNAALOX15
Oxalic Acid SCHEMBL7867400 0.76 KDM4E (0.55) KMT2ASMN1; SMN2KDM4ELMNAALOX15
Phosphoric Acid SCHEMBL7866397 0.74 KDM4E (0.37) KMT2ASMN1; SMN2KDM4ELMNAALOX15
Oxalic Acid SCHEMBL7867934 0.74 DRD2 (0.43) KMT2ASMN1; SMN2DRD2DRD4ALDH1A1
Oxalic Acid SCHEMBL7865118 0.74 KMT2A (0.45) KMT2ASMN1; SMN2KDM4ELMNAALOX15
Oxalic Acid SCHEMBL7867409 0.72 KMT2A (0.42) KMT2ASMN1; SMN2KDM4ELMNAALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed