Oxalic Acid

Oxalic Acid

SCHEMBL7322875

CCCCCN1CCC(CCOc2ccc(C(F)(F)F)cc2)CC1.O=C(O)C(=O)O

nearest known ligand 0.59

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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 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
HRH3 Q9Y5N1 14/20 0.59
SLC6A5 Q9Y345 1/20 0.55

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
SCHEMBL7321415 0.93 HRH3 (0.54) KMT2AMEN1HRH3SLC6A5
Oxalic Acid SCHEMBL7318747 0.88 KMT2A (0.69) KMT2AMEN1HRH3
Oxalic Acid SCHEMBL7320673 0.84 KDM4E (0.61) KMT2AMEN1HRH3
SCHEMBL7317633 0.83 HRH3 (0.61) KMT2AMEN1HRH3
Hydrochloric Acid SCHEMBL7322070 0.82 HRH3 (0.60) KMT2AMEN1HRH3
SCHEMBL7317615 0.82 ALDH1A1 (0.59) KMT2AMEN1HRH3
SCHEMBL7322566 0.81 TMEM97 (0.61) HRH3
Hydrochloric Acid SCHEMBL7316066 0.81 HRH3 (0.50) HRH3
Oxalic Acid SCHEMBL7318217 0.81 SLC6A2 (0.53) KMT2AMEN1HRH3
Hydrochloric Acid SCHEMBL9528327 0.81 USP2 (0.58) KMT2AMEN1HRH3

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-0542846-A1 N-HYDROCARBYL-4-SUBSTITUTED PIPERIDINES, THEIR PREPARATION AND USE AS CALCIUM BLOCKING AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-05-26 EP disclosed
WO-1992002502-A1 N-HYDROCARBYL-4-SUBSTITUTED PIPERIDINES, THEIR PREPARATION AND USE AS CALCIUM BLOCKING AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-02-20 WO disclosed