SCHEMBL4640916

SCHEMBL4640916

Cc1cc(O)c(O)c(C(C(=O)O)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
SELE P16581 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
HRH1 P35367 2/20 0.40
ADRB2 P07550 1/20 0.40
CX3CR1 P49238 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 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
SCHEMBL4619006 0.82 KMT2A (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2CHRM2
SCHEMBL14677603 0.73 KMT2A (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL9447445 0.73 CNR1 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2CHRM2
SCHEMBL11363822 0.73 MEN1 (0.50) KMT2AMEN1GAAHPGDL3MBTL1
SCHEMBL4776740 0.73 SLC6A2 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL9701512 0.73 L3MBTL1 (0.45) KMT2AMEN1L3MBTL1TDP1CYP2D6
SCHEMBL11388942 0.72 SRC (0.54) KMT2AMEN1CHRM1GAAL3MBTL1
SCHEMBL31413333 0.72 KMT2A (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2CHRM2
SCHEMBL3630774 0.72 ACP3 (0.53) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL27965885 0.71 TYR (0.59) KMT2AMEN1ALDH1A1GAAL3MBTL1

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-1888525-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-02-20 EP disclosed
WO-2006117754-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed