SCHEMBL5308503

SCHEMBL5308503

O=[C]OC(c1ccco1)c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
POLB P06746 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN7 P35236 1/20 0.41
BLM P54132 1/20 0.41
ESR2 Q92731 1/20 0.41
MEN1 O00255 3/20 0.37
AGTR1 P30556 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX5 P09917 1/20 0.34
HPGD P15428 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPK1 P28482 1/20 0.33
MIF P14174 1/20 0.33

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
SCHEMBL6846708 0.79 ALOX5 (0.40) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL9091231 0.72 POLB (0.33) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL21669924 0.70 KMT2A (0.40) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL11313257 0.70 KMT2A (0.45) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL9782148 0.67
SCHEMBL11702005 0.67
SCHEMBL948260 0.67
SCHEMBL10806343 0.67
SCHEMBL23851485 0.66 KMT2A (0.56) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL28233756 0.66

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
WO-2007028524-A2 USE OF A DERIVATIVE OF IMIDAZOLE FOR THE TREATMENT OF LEUKOTRIENE RELATED DISORDERS PROUS INSTITUTE FOR BIOMEDICAL RESEARCH S.A. (ES) 2007-03-15 WO claimed
WO-2007028524-A2 USE OF A DERIVATIVE OF IMIDAZOLE FOR THE TREATMENT OF LEUKOTRIENE RELATED DISORDERS PROUS INSTITUTE FOR BIOMEDICAL RESEARCH S.A. (ES) 2007-03-15 WO disclosed