SCHEMBL22019337

SCHEMBL22019337

CCNCc1ccc2c(c1)OCCOC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.40
FTO Q9C0B1 1/20 0.40
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRM3 P20309 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 3/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 2/20 0.33
PDE2A O00408 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CRHBP P24387 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
SCHEMBL4667670 0.81 ALDH1A1 (0.51) ALKBH5FTOALDH1A1KDM4ETSHR
SCHEMBL18656441 0.78 CHRM4 (0.38) ALKBH5FTOALDH1A1KDM4ETSHR
SCHEMBL20767384 0.76 CD274 (0.39) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL13632598 0.74 RAB9A (0.52) KDM1AMAOAMAOBPDE2A
SCHEMBL12509821 0.71 ALDH1A1 (0.63) ALDH1A1KDM4ETSHRKMT2AMEN1
SCHEMBL8251512 0.71 MAPT (0.41) ALDH1A1KDM4EKMT2AMEN1CRHBP
SCHEMBL28411207 0.70 MAPT (0.43) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL11922718 0.69 DPP7 (0.51) ALKBH5FTOALDH1A1KDM4ETSHR
SCHEMBL12188934 0.68 PARP1 (0.41) KMT2AMEN1CYP3A4
SCHEMBL13146605 0.68 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed