Oxalic Acid

Oxalic Acid

SCHEMBL7867529

CCN1CC=C(c2cc3ccc(C#N)cc3s2)CC1.O=C(O)C(=O)O

nearest known ligand 0.40

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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 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PARP1 P09874 1/20 0.35
▸ KDM2B Q8NHM5 4/20 0.35
▸ HTR1F P30939 1/20 0.34
▸ NAMPT P43490 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ DHPS P49366 1/20 0.33
▸ DYRK1A Q13627 1/20 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
SCHEMBL7859754 0.85 DRD2 (0.36) PARP1KDM4ELMNAALOX15
Maleic Acid SCHEMBL8819856 0.82 ALDH1A1 (0.32) CHRNA7KMT2AKDM4EMAPTALDH1A1
Oxalic Acid SCHEMBL7867999 0.80 DRD2 (0.41) PARP1HTR1FKDM4ELMNAALOX15
Oxalic Acid SCHEMBL7870914 0.80 KMT2A (0.45) KMT2ASMN1; SMN2HTR1FKDM4EMAPT
Oxalic Acid SCHEMBL7865118 0.79 KMT2A (0.45) CHRNA7KMT2ASMN1; SMN2HTR1FKDM4E
Oxalic Acid SCHEMBL7867561 0.79 HTR1D (0.40) KMT2ASMN1; SMN2PARP1HTR1FKDM4E
Oxalic Acid SCHEMBL7868026 0.78 CYP19A1 (0.44) PARP1HTR1F
Oxalic Acid SCHEMBL7865012 0.77 SLC6A4 (0.40) KMT2ASMN1; SMN2PARP1HTR1FKDM4E
Oxalic Acid SCHEMBL7866233 0.74 DRD2 (0.46) CHRNA7KDM2BTSHR
Oxalic Acid SCHEMBL7865005 0.73 KDM4E (0.59) HTR1FKDM4ELMNAALOX15

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
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