Malonic Acid

Malonic Acid

SCHEMBL27560828

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.O=C(O)CC(=O)O

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ LDHA P00338 1/20 0.33
▸ SRR Q9GZT4 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ PDE2A O00408 1/20 0.30
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ P2RY12 Q9H244 1/20 0.30

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
Malonic Acid SCHEMBL5133240 1.00 STAT3 (0.36) STAT3STAT1LDHASRREGLN1
Propionic Acid SCHEMBL2502176 0.87 FFAR3 (0.36) STAT3STAT1MEN1KMT2A
Glycine SCHEMBL14801761 0.87 GLRA1 (0.36) STAT3STAT1ALDH1A1MAPT
Propionic Acid SCHEMBL27439210 0.87 FFAR3 (0.36) STAT3STAT1MEN1KMT2A
Hydrogen Peroxide SCHEMBL28310892 0.86 STAT3 (0.43) STAT3STAT1
Propionic Acid SCHEMBL27367545 0.86 STAT3 (0.35) STAT3STAT1
SCHEMBL28643450 0.85 STAT3 (0.38) STAT3STAT1
Carbamic Acid SCHEMBL30568294 0.85 STAT3 (0.38) STAT3STAT1
SCHEMBL28505872 0.84 MAPT (0.35) STAT3STAT1KDM4EMEN1ALDH1A1
Acetic Acid SCHEMBL29181911 0.83 STAT3 (0.37) STAT3STAT1KDM4EALDH1A1MAPT

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
CN-1303090-C Novel, water-soluble porphyrin platinum compounds with high tumor selectivity and their use for the treatment of benign and malignant tumor diseases ZENTARIS AG (DE) 2007-03-07 — — CN disclosed
CN-1639178-A Novel, water-soluble porphyrin platinum compounds with high tumor selectivity and their use for the treatment of benign and malignant tumor diseases ZENTARIS AG (DE) 2005-07-13 — — CN disclosed
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