Oxalic Acid

Oxalic Acid

SCHEMBL6596644

CC1CNCCC1c1c(F)ccc2ccsc12.O=C(O)C(=O)O

nearest known ligand 0.37

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
P2RY14 Q15391 1/20 0.34
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PRKCI P41743 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
SSTR4 P31391 3/20 0.32
SSTR1 P30872 2/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
AKT1 P31749 6/20 0.32
AKT2 P31751 3/20 0.32
FPR1 P21462 2/20 0.32
FPR2 P25090 1/20 0.32
SGK1 O00141 2/20 0.32
RPS6KB1 P23443 2/20 0.32
PRKCQ Q04759 2/20 0.32
ROCK1 Q13464 2/20 0.32

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 SCHEMBL6596649 1.00 P2RY14 (0.34) P2RY14CHRM1CHRM3PRKCICHRM2
Oxalic Acid SCHEMBL6596632 1.00 P2RY14 (0.34) P2RY14CHRM1CHRM3PRKCICHRM2
SCHEMBL6599237 0.93 PRKCI (0.36) CHRM1CHRM3PRKCICHRM2CHRM4
SCHEMBL6599236 0.93 PRKCI (0.36) CHRM1CHRM3PRKCICHRM2CHRM4
SCHEMBL6599232 0.93 PRKCI (0.36) CHRM1CHRM3PRKCICHRM2CHRM4
Hydrochloric Acid SCHEMBL6597105 0.70 HTR2C (0.36) P2RY14PRKCICDK7CCNHMNAT1
Hydrochloric Acid SCHEMBL6597110 0.70 HTR2C (0.36) P2RY14PRKCICDK7CCNHMNAT1
Hydrochloric Acid SCHEMBL6597102 0.70 HTR2C (0.36) P2RY14PRKCICDK7CCNHMNAT1
Hydrochloric Acid SCHEMBL6596577 0.70 PRKCI (0.33) CHRM1CHRM3PRKCICHRM2CHRM4
SCHEMBL6334203 0.69 EED (0.37) CHRM1CHRM3CHRM2CHRM4CHRM5

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
EP-1204660-B1 SEROTONERGIC BENZOTHIOPHENES LILLY CO ELI (US) 2004-10-20 EP disclosed