SCHEMBL4189998

SCHEMBL4189998

CCC(c1cccc(N(C(C)C)C(C)C)c1)c1cc(CCO)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.38
BACE1 P56817 1/20 0.38
CHRM3 P20309 6/20 0.37
CHRM2 P08172 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
HRH1 P35367 2/20 0.37
LMNA P02545 2/20 0.37
ESR1 P03372 1/20 0.37
CHRM4 P08173 1/20 0.37
KCNE1 P15382 1/20 0.37
PTGS1 P23219 1/20 0.37
HRH2 P25021 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL2167352 0.90 CHRM3 (0.38) MAPTGAAALDH1A1CHRM3CHRM2
SCHEMBL7752284 0.90 CHRM3 (0.38) MAPTGAAALDH1A1CHRM3CHRM2
SCHEMBL722593 0.90 CHRM3 (0.38) MAPTGAAALDH1A1CHRM3CHRM2
SCHEMBL27743763 0.86 MAPT (0.38) MAPTGAAKDM4EALDH1A1ALOX5
SCHEMBL7758295 0.84 BCHE (0.38) MAPTGAACHRM3CHRM2CHRM5
SCHEMBL4412379 0.83 CHRM1 (0.54) MAPTGAAALDH1A1CHRM3CHRM2
SCHEMBL3721172 0.83 CHRM1 (0.54) MAPTGAAALDH1A1CHRM3CHRM2
SCHEMBL7756317 0.82 BCHE (0.36) MAPTGAAKDM4EALDH1A1BACE1
SCHEMBL7752344 0.82 BCHE (0.36) MAPTGAACHRM3CHRM2CHRM5
SCHEMBL11295974 0.81 ALDH1A1 (0.38) MAPTGAAALDH1A1CHRM3CHRM2

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-2029567-A1 PROCESS FOR THE PRODUCTION OF BENZOPYRAN-2-OL DERIVATIVES Pfizer Limited (GB) 2009-03-04 EP disclosed
WO-2007138440-A1 PROCESS FOR THE PRODUCTION OF BENZOPYRAN-2-OL DERIVATIVES PFIZER LIMITED (GB) 2007-12-06 WO disclosed