Oxalic Acid

Oxalic Acid

SCHEMBL9729957

COc1ccc2ncn(CC=C(C)CCC=C(C)C)c2c1.O=C(O)C(=O)O

nearest known ligand 0.52

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
MTNR1A P48039 4/20 0.52
MTNR1B P49286 3/20 0.52
TBXA2R P21731 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
MAPK10 P53779 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
CDYL2 Q8N8U2 1/20 0.39
CDYL Q9Y232 1/20 0.39
CDY1; CDY1B Q9Y6F8 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL9729569 0.95 MTNR1A (0.51) MTNR1AMTNR1BTBXA2RTRPV1MAPK1
SCHEMBL9501822 0.76 TDP1 (0.47) MAPK1HTTKDM4E
SCHEMBL9730522 0.76 TDP1 (0.47) MAPK1HTTKDM4E
SCHEMBL9501830 0.76 TDP1 (0.47) MAPK1HTTKDM4E
SCHEMBL7128052 0.72 MTNR1A (0.54) MTNR1AMTNR1BTBXA2RMAPK1ALDH1A1
SCHEMBL10643013 0.69 TDP1 (0.55) TRPV1ALDH1A1HTTPPARGPPARA
SCHEMBL10643016 0.69 TDP1 (0.55) TRPV1ALDH1A1HTTPPARGPPARA
SCHEMBL10603795 0.69 MTNR1A (0.59) MTNR1AMTNR1BMAPK1ALDH1A1HPGD
SCHEMBL9190336 0.69 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL29962224 0.69 MTNR1A (1.00) MTNR1AMTNR1B

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