SCHEMBL9815306

SCHEMBL9815306

COc1ccc(CCC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCC(O)CNC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.56
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 2/20 0.47
ADRB2 P07550 1/20 0.47
EPHX1 P07099 1/20 0.46
LMNA P02545 1/20 0.44

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
Hydrochloric Acid SCHEMBL9815340 0.99 ABCB1 (0.55) ABCB1MEN1KMT2AKDM4EALDH1A1
SCHEMBL9815376 0.78 ADRB2 (0.53) ADRB2
Hydrochloric Acid SCHEMBL9815343 0.77 ADRB2 (0.52) ADRB2
Alprafenone SCHEMBL1345342 0.70 ADRB2 (0.54) MEN1KMT2AADRB2
SCHEMBL29066089 0.70 TUBB1 (0.67) MEN1KMT2ALMNA
SCHEMBL30504067 0.70 TUBB1 (0.67) MEN1KMT2ALMNA
SCHEMBL9425925 0.69 MEN1 (0.70) MEN1KMT2AKDM4EALDH1A1POLB
Alprafenone SCHEMBL1231193 0.69 ADRB2 (0.53) MEN1KMT2AADRB2
SCHEMBL9815375 0.69 CASR (0.51) ABCB1MEN1KMT2AKDM4EADRB2
SCHEMBL9815361 0.69 ABCB1 (0.56) ABCB1MEN1KMT2AKDM4EADRB2

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-0297435-B1 AMINOPROPANOL DERIVATIVES OF 3-(3'-HYDROXYPHENYL)-1-PROPANONE, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Helopharm W. Petrik GmbH & Co.KG. (DE) 1991-10-16 EP claimed