SCHEMBL5282038

SCHEMBL5282038

O=C(O)CNc1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
RAB9A P51151 3/20 0.51
AGTR1 P30556 1/20 0.51
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.49
PARP1 P09874 1/20 0.45
PBRM1 Q86U86 1/20 0.45
CLCN2 P51788 1/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALOX15 P16050 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FABP4 P15090 1/20 0.40
AKR1B10 O60218 1/20 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
SCHEMBL29620333 0.83 KDM4E (0.71) KDM4ERAB9AAGTR1ALDH1A1HSD17B10
SCHEMBL341645 0.83 KDM4E (0.71) KDM4ERAB9AAGTR1ALDH1A1HSD17B10
SCHEMBL16181442 0.82 FABP4 (0.50) KDM4ERAB9AAGTR1ALDH1A1HSD17B10
Water SCHEMBL7614858 0.81 KDM4E (0.69) KDM4ERAB9AAGTR1ALDH1A1HSD17B10
Methane SCHEMBL2342916 0.81 KDM4E (0.69) KDM4ERAB9AAGTR1ALDH1A1HSD17B10
SCHEMBL14574944 0.81 PARP1 (0.48) KDM4ERAB9AAGTR1ALDH1A1HSD17B10
SCHEMBL7824620 0.81 PBRM1 (0.55) ALDH1A1PARP1PBRM1POLBKMT2A
SCHEMBL4607469 0.81 KDM4E (0.49) KDM4ERAB9AAGTR1ALDH1A1HPGD
Potassium SCHEMBL14574757 0.79 PARP1 (0.47) KDM4ERAB9AAGTR1ALDH1A1HSD17B10
SCHEMBL13783620 0.79 KDM6B (0.53) KDM4ERAB9AAGTR1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866416-A2 DELIVERY SYSTEMS AND METHODS FOR DIAGNOSING AND TREATING CARDIOVASCULAR DISEASES Medstar Health Inc. (US) 2007-12-19 EP claimed
WO-2006102395-A2 DELIVERY SYSTEMS AND METHODS FOR DIAGNOSING AND TREATING CARDIOVASCULAR DISEASES MEDSTAR HEALTH INC (US) 2006-09-28 WO claimed
US-11059886-B1 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using GRM8 activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-07-13 US disclosed
EP-2580215-A2 8-(2'-HETEROCYCYL)PYRIDO[2.3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS Afraxis, Inc. (US) 2013-04-17 EP disclosed
WO-2011156775-A2 8-(2'-HETEROCYCYL)PYRIDO[2.3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2011-12-15 WO disclosed