SCHEMBL4543480

SCHEMBL4543480

CC(Cc1cccc(CC(=O)NC(C)c2ccccc2)c1)NCC(O[Si](C)(C)C(C)(C)C)c1ccc(O)c(CO)c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.57
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CHRM3 P20309 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4267400 1.00 ADRB2 (0.57) ADRB2ALDH1A1MAPTHPGDCHRM3
SCHEMBL4267404 1.00 ADRB2 (0.57) ADRB2ALDH1A1MAPTHPGDCHRM3
SCHEMBL4392422 0.92 ADRB2 (0.56) ADRB2
SCHEMBL4392426 0.92 ADRB2 (0.56) ADRB2
SCHEMBL4258495 0.91 ADRB2 (0.71) ADRB2
SCHEMBL4258497 0.91 ADRB2 (0.71) ADRB2
SCHEMBL4253622 0.90 ADRB2 (0.61) ADRB2CHRM3
SCHEMBL4253625 0.90 ADRB2 (0.61) ADRB2CHRM3
SCHEMBL4256488 0.90 ADRB2 (0.58) ADRB2MAPT
SCHEMBL4256495 0.90 ADRB2 (0.58) ADRB2MAPT

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-1624868-B9 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2009-08-12 EP disclosed
EP-1624868-B1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2008-11-12 EP disclosed