Malonic Acid

Malonic Acid

SCHEMBL8557894

COc1ccc(CCC(=O)O)cc1F.O=C(O)CC(=O)O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.56
FFAR4 Q5NUL3 3/20 0.56
PPARA Q07869 2/20 0.52
PPARD Q03181 1/20 0.51
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
FFAR2 O15552 1/20 0.48
ALOX5 P09917 1/20 0.48
OR51E2 Q9H255 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MITF O75030 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL585819 0.95 FFAR4 (0.60) FFAR1FFAR4PPARAPPARDHTT
SCHEMBL344964 0.87 PPARG (0.54) FFAR1FFAR4PPARAHTTLMNA
SCHEMBL584916 0.85 HTT (0.52) HTTLMNAMAPK1RAB9AALOX5
SCHEMBL4208634 0.83 FFAR1 (0.57) FFAR1FFAR4PPARAPPARDFFAR2
SCHEMBL7847132 0.83 RAB9A (0.58) HTTLMNAMAPK1RAB9AALOX5
SCHEMBL657509 0.82 KMT2A (0.50) ALOX5OR51E2
SCHEMBL14892303 0.82 HTT (0.54) FFAR1FFAR4HTTLMNAMAPK1
SCHEMBL347209 0.81 FFAR4 (0.61) FFAR1FFAR4ALOX5OR51E2KDM4E
SCHEMBL21359040 0.81 FFAR4 (0.51) FFAR1FFAR4PPARAPPARDLMNA
SCHEMBL7286269 0.80 ALDH1A1 (0.57) LMNAALDH1A1

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
EP-0885210-A1 Tricylic compounds having binding affinity for melatonin receptors, their production and use Takeda Chemical Industries, Ltd. (JP) 1998-12-23 EP disclosed
WO-1997032871-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-12 WO disclosed