Oxalic Acid

Oxalic Acid

SCHEMBL8086844

CN(C)CCOc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)NC3)cc1.O=C(O)C(=O)O

nearest known ligand 0.43

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
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 1/20 0.39
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
DAPK3 O43293 1/20 0.37
ROCK2 O75116 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CHEK2 O96017 1/20 0.37
PRKCG P05129 1/20 0.37
INSR P06213 1/20 0.37
LCK P06239 1/20 0.37
LYN P07948 1/20 0.37
RET P07949 1/20 0.37
PIM1 P11309 1/20 0.37
PHKG2 P15735 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 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
SCHEMBL8085115 0.81 ALOX5 (0.53) ALOX5KDM4EALDH1A1RAB9APLK4
SCHEMBL8080333 0.81 ALOX5 (0.47) ALOX5ALDH1A1RAB9AEDNRBEDNRA
SCHEMBL8072504 0.78 ALOX5 (0.56) ALOX5KDM4EALDH1A1ROCK2CDK2
SCHEMBL8084967 0.78 ALOX5 (0.56) ALOX5KDM4EALDH1A1RAB9ACDK2
SCHEMBL8081502 0.78 ALOX5 (0.55) ALOX5KDM4ERAB9ACDK2CLK4
SCHEMBL8080562 0.76 ALOX5 (0.56) ALOX5KDM4EPIM1CDK2CSNK1A1
SCHEMBL8084927 0.76 ALOX5 (0.56) ALOX5CDK2
SCHEMBL2952410 0.76 ALOX5 (0.71) ALOX5KDM4EALDH1A1RAB9AMAPKAPK2
SCHEMBL8072251 0.76 ALOX5 (0.53) ALOX5ALDH1A1CDK2MAPKAPK2SMN1; SMN2
SCHEMBL8072655 0.75 ALOX5 (0.54) ALOX5KDM4EPIM1CDK2ROCK1

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-6030967-A AND/OR LIKE NEUROTROPHIC FACTOR (FOR EXAMPLE, NERVE GROWTH FACTOR (NGF), BRAIN-DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-3, AND GLIAL CELL LINE-DERIVED NEUROTROPHIC FACTOR)-LIKE ACTIVITY; OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed