Oxalic Acid

Oxalic Acid

SCHEMBL7866244

CCN1CC=C(c2cc3c(C#N)cccc3[nH]2)CC1.O=C(O)C(=O)O

nearest known ligand 0.43

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 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 11/20 0.43
▸ CDK9 P50750 11/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTR6 P50406 2/20 0.41
▸ CHEK1 O14757 1/20 0.38

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 SCHEMBL7867409 0.84 KMT2A (0.42) CCNT1CDK9KDM4ELMNAALOX15
Oxalic Acid SCHEMBL7868026 0.80 CYP19A1 (0.44) CCNT1CDK9HTR6CHEK1
Oxalic Acid SCHEMBL7867999 0.80 DRD2 (0.41) CCNT1CDK9KDM4ELMNAALOX15
Oxalic Acid SCHEMBL7870914 0.79 KMT2A (0.45) CCNT1CDK9KDM4ELMNAALOX15
SCHEMBL6028314 0.78 KDM4E (0.45) CCNT1CDK9KDM4ELMNAALOX15
Oxalic Acid SCHEMBL7864882 0.78 KDM4E (0.55) KDM4ELMNAALOX15KMT2ASMN1; SMN2
Phosphoric Acid SCHEMBL7866219 0.77 CCNT1 (0.41) CCNT1CDK9KDM4ELMNAALOX15
Oxalic Acid SCHEMBL7867400 0.76 KDM4E (0.55) KDM4ELMNAALOX15KMT2ASMN1; SMN2
Oxalic Acid SCHEMBL7867428 0.74 CCNT1 (0.42) CCNT1CDK9KDM4EKMT2AMAPT
Oxalic Acid SCHEMBL7864973 0.74 KDM4E (0.43) CCNT1CDK9KDM4ELMNAALOX15

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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