Oxalic Acid

Oxalic Acid

SCHEMBL9730818

CC(C)=CCCC(C)=CCSc1nc2ccccc2n1CC=C(C)CCC=C(C)C.O=C(O)C(=O)O

nearest known ligand 0.49

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
MAPT P10636 2/20 0.49
ICMT O60725 1/20 0.49
GMNN O75496 1/20 0.49
TRPA1 O75762 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
CDK2 P24941 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9729392 0.94 HSD17B10 (0.46) MAPTICMTGMNNTRPA1LMNA
SCHEMBL10639930 0.79 LMNA (0.48) MAPTLMNATSHRALDH1A1RAB9A
SCHEMBL10639923 0.79 LMNA (0.48) MAPTLMNATSHRALDH1A1RAB9A
SCHEMBL5144242 0.76 LMNA (0.44) LMNACYP1A2CYP2C9ALDH1A1RAB9A
SCHEMBL5144238 0.76 LMNA (0.44) LMNACYP1A2CYP2C9ALDH1A1RAB9A
SCHEMBL9730370 0.75 LMNA (0.54) MAPTLMNAPOLBTSHRALDH1A1
SCHEMBL9671197 0.74 PDE7A (0.59) TSHRALDH1A1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL9671209 0.74 PDE7A (0.59) TSHRALDH1A1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL10639620 0.72 APAF1 (0.46) MAPTLMNACYP1A2CYP2C9TSHR
SCHEMBL10639615 0.72 APAF1 (0.46) MAPTLMNACYP1A2CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106863-A Antiulcer agents, gastrointestinal disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1992-04-21 US disclosed