Oxalic Acid

Oxalic Acid

SCHEMBL9853597

Nc1ccncc1Oc1ccc(Cl)c2ccccc12.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 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 4/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SLC22A12 Q96S37 4/20 0.40
HSP90AA1 P07900 1/20 0.39
CCR6 P51684 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR1 O14842 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL9853596 0.92 GAA (0.49) ESRRALMNAMAPTGAAKMT2A
SCHEMBL9853591 0.76 IDO1 (0.54) LMNAMAPTGAAKMT2AKDM4E
Oxalic Acid SCHEMBL9853811 0.76 KDM4C (0.42) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL9853602 0.75 PTGS1 (0.44) ESRRALMNAMAPTTSHRNPC1
SCHEMBL9853270 0.72 KDM4E (0.51) MAPTGAAKMT2AKDM4EMEN1
SCHEMBL9853585 0.72 CYP3A4 (0.46) LMNAMAPTGAAKDM4EALDH1A1
SCHEMBL4374807 0.69 PTGS1 (0.50) GAAALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL9853609 0.69 ALDH1A1 (0.50) ESRRALMNAMAPTKMT2AMEN1
SCHEMBL31552940 0.68 ALDH1A1 (0.46) GAAKMT2AKDM4EALDH1A1TSHR
SCHEMBL9853824 0.68 KDM4C (0.38) GAAKDM4ESLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0405426-A2 Naphthylamino- and naphthyloxy-pyridinamines and related compounds, a process for their preparation and their use as dermatological agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-02 EP disclosed
US-4931457-A Naphthylamino-and naphthyloxy-pyridinamine comounds useful as topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-05 US disclosed