Oxalic Acid

Oxalic Acid

SCHEMBL11273608

Cc1ccc2sn(CCN3CCCC3)c(=O)c2c1.O=C(O)C(=O)O

nearest known ligand 0.48

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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 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
ACKR3 P25106 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL11278589 0.78 HRH3 (0.37) TSHRHSD17B10
SCHEMBL25761855 0.76 CASP3 (0.59) KAT2AKAT2B
SCHEMBL15680602 0.75 ESR1 (0.36) KAT2AKAT2B
SCHEMBL11407006 0.74 CASP3 (0.59) KAT2AKAT2B
SCHEMBL11348382 0.73 CASP3 (0.57) KAT2AKAT2B
Hydrochloric Acid SCHEMBL11272284 0.72 CASP3 (0.56) KAT2AKAT2B
SCHEMBL11269992 0.72 SIGMAR1 (0.41) ALDH1A1KDM4EHTTKMT2AMAPT
SCHEMBL11188537 0.71 FAAH (0.68) ALDH1A1TSHRHSD17B10KAT2AKAT2B
Hydrochloric Acid SCHEMBL11281719 0.71 SIGMAR1 (0.40) ALDH1A1KDM4EHTTTDP1
SCHEMBL21996048 0.70 P4HB (0.72) ALDH1A1KDM4EL3MBTL1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4350702-A 2-SUBSTITUTED BENZISOTHIAZOLONES BEECHAM GROUP LIMITED (GB) 1982-09-21 US disclosed
US-4243669-A ANTICOAGULANTS BEECHAM GROUP LIMITED (GB) 1981-01-06 US disclosed
US-4212872-A ANTICOAGULANTS BEECHAM GROUP LIMITED (GB) 1980-07-15 US disclosed
US-4212979-A ANTITHROMOGENIC BEECHAM GROUP LIMITED (GB) 1980-07-15 US disclosed
US-4113728-A ANTICOAGULANTS BEECHAM GROUP LIMITED (GB) 1978-09-12 US disclosed