Oxalic Acid

Oxalic Acid

SCHEMBL7987751

Clc1ccc(NCCCc2c[nH]cn2)cc1.O=C(O)C(=O)O

nearest known ligand 0.39

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
CHRM1 P11229 2/20 0.39
HTR2A P28223 2/20 0.39
MCHR1 Q99705 2/20 0.39
CNR1 P21554 5/20 0.38
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
FFAR1 O14842 1/20 0.37
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
NR4A2 P43354 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL4376612 0.92 MCHR1 (0.43) CHRM1HTR2AMCHR1RHOCRHOA
Oxalic Acid SCHEMBL7994699 0.85 CHEK1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
Oxalic Acid SCHEMBL7991460 0.85 TP53 (0.37) CHRM1HTR2AMCHR1NPC1RAB9A
Oxalic Acid SCHEMBL7990904 0.76 RXFP1 (0.43) RAB9AALDH1A1MEN1GAAMAPT
Oxalic Acid SCHEMBL7991119 0.76 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL7973065 0.76 NPC1 (0.49) NPC1RAB9ASMN1; SMN2
SCHEMBL4389350 0.76 CXCR4 (0.41) CHRM1HTR2AMCHR1NPC1RAB9A
SCHEMBL632032 0.74 MAPT (0.44) FFAR1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7975024 0.74 MEN1 (0.57) SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL7994725 0.73 L3MBTL1 (0.33) NPC1RAB9ASMN1; SMN2ALDH1A1POLB

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
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed