Oxalic Acid

Oxalic Acid

SCHEMBL3500

CNCCC(Oc1ccc(C(F)(F)F)cc1)C1CCCCC1.O=C(O)C(=O)O

nearest known ligand 0.50

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
SLC6A4 known ✓ P31645 2/20 0.50
OPRM1 known ✓ P35372 1/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
LMNA P02545 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
MTOR P42345 2/20 0.50
CYP3A4 P08684 2/20 0.50
SLC6A2 P23975 2/20 0.50
HTR2C P28335 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HRH3 Q9Y5N1 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL10987303 0.87 SLC6A4 (0.56) MEN1KMT2ALMNANPC1RAB9A
Hydrochloric Acid SCHEMBL10987609 0.86 SLC6A4 (0.57) MEN1KMT2ALMNANPC1RAB9A
Oxalic Acid SCHEMBL4054 0.84 SLC6A4 (0.50) MEN1KMT2ASLC6A4KDM4EHRH3
SCHEMBL5143084 0.77 SLC6A2 (0.50) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL3501 0.77 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2HPGDGCGR
Citric Acid SCHEMBL3868 0.77 MMP1 (0.40) MEN1KMT2ANPC1RAB9ACYP2D6
SCHEMBL10989204 0.75 SLC6A4 (0.46) MEN1KMT2ALMNANPC1RAB9A
Hydrochloric Acid SCHEMBL3937 0.75 SLC6A4 (0.52) MEN1KMT2ALMNACYP3A4SLC6A2
Fluoxetine SCHEMBL8722258 0.74 SLC6A4 (0.88) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL5079349 0.74 SLC6A4 (0.51) NPC1RAB9ASLC6A2SLC6A4SLC6A3

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-5023269-A 3-aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1991-06-11 US disclosed
EP-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed