Oxalic Acid

Oxalic Acid

SCHEMBL8880863

CCCCCCCCCCCCCCCCn1c(=O)c(N2CCN(C)CC2)cc2ccccc21.O=C(O)C(=O)O

nearest known ligand 0.50

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 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.48
▸ CNR1 P21554 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPK1 P28482 2/20 0.41

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 SCHEMBL8882079 0.83 CCR2 (0.49) CNR2CNR1ALDH1A1KDM4EMAPT
Oxalic Acid SCHEMBL8881624 0.77 SIGMAR1 (0.43) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31202584 0.74 CNR2 (0.52) CNR2CNR1ALDH1A1NPSR1CYP1A2
SCHEMBL7591962 0.73 TLR8 (0.54) CNR2CNR1ALDH1A1NPSR1CYP1A2
SCHEMBL18575786 0.73 DAO (0.58) CNR2CNR1ALDH1A1NPSR1CYP1A2
SCHEMBL5166280 0.72 TP53 (0.45) ALDH1A1KDM4EMAPTHTTMAPK1
SCHEMBL10762525 0.72 ALDH1A1 (0.63) CNR2ALDH1A1CYP1A2
SCHEMBL8242370 0.72 ALDH1A1 (0.63) CNR2ALDH1A1CYP1A2
SCHEMBL6682164 0.71 ALDH1A1 (0.64) CNR2ALDH1A1CYP1A2
SCHEMBL30277975 0.70 PIK3CD (0.45) CNR2CNR1ALDH1A1NPSR1KDM4E

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
US-5691341-A ANTILEUKEMIA AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 — — US disclosed
EP-0623598-A1 APOPTOSIS REGULATOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 — — EP disclosed
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