Oxalic Acid

Oxalic Acid

SCHEMBL6862053

Cn1c(=O)cc(-c2ccc3c(c2)OCO3)c2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc21.O=C(O)C(=O)O

nearest known ligand 0.47

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
FNTA P49354 5/20 0.47
FNTB P49356 5/20 0.47
CYP19A1 P11511 8/20 0.44
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
P4HB P07237 2/20 0.39
CNR1 P21554 2/20 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
SCHEMBL3518197 0.96 FNTA (0.48) FNTAFNTBCYP19A1CYP3A4CYP1A2
SCHEMBL6867606 0.82 FNTA (0.67) FNTAFNTBCYP19A1CYP3A4CYP1A2
SCHEMBL6868055 0.81 FNTA (0.63) FNTAFNTBCYP19A1CYP3A4CYP1A2
SCHEMBL8473920 0.75 FNTA (0.50) FNTAFNTBCYP19A1CYP3A4CYP1A2
Oxalic Acid SCHEMBL7701815 0.74 FNTA (0.49) FNTAFNTBCYP19A1CYP3A4CYP1A2
SCHEMBL6869798 0.72 FNTA (0.61) FNTAFNTBCYP19A1CYP3A4CYP1A2
SCHEMBL6169572 0.70 FNTA (0.53) FNTAFNTBCYP19A1
Oxalic Acid SCHEMBL6871474 0.69 FNTA (0.54) FNTAFNTBCYP3A4ALDH1A1HSD17B10
SCHEMBL4144550 0.69 FNTA (0.51) FNTAFNTBCYP19A1CYP3A4CYP1A2
SCHEMBL12590528 0.69 FNTA (0.58) FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1106610-B1 Farnesyl transferase inhibiting 2-quinolone derivatives JANSSEN PHARMACEUTICA NV (BE) 2004-06-16 EP claimed
EP-1019395-B1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-01-30 EP claimed
EP-1106610-A1 Farnesyl transferase inhibiting 2-quinolone derivatives Janssen Pharmaceutica N.V. (BE) 2001-06-13 EP claimed
EP-1106610-B1 Farnesyl transferase inhibiting 2-quinolone derivatives JANSSEN PHARMACEUTICA NV (BE) 2004-06-16 EP disclosed
EP-1019395-B1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-01-30 EP disclosed
EP-1106610-A1 Farnesyl transferase inhibiting 2-quinolone derivatives Janssen Pharmaceutica N.V. (BE) 2001-06-13 EP disclosed
EP-1019395-A1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-07-19 EP disclosed
WO-1997016443-A1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-09 WO disclosed