SCHEMBL9815375

SCHEMBL9815375

CCC(C)(C)NCC(O)COc1cccc(CCC(=O)c2cc(OC)c(OC)c(OC)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.51
ABCB1 P08183 3/20 0.47
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KCNH2 Q12809 2/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
ADRB3 P13945 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
KDM4E B2RXH2 2/20 0.43

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 SCHEMBL9815374 0.99 CASR (0.50) CASRABCB1ATMMEN1KMT2A
Hydrochloric Acid SCHEMBL10489798 0.81 ABCB1 (0.38) ABCB1ATM
Alprafenone SCHEMBL1345342 0.76 ADRB2 (0.54) CASRATMMEN1KMT2ASLC6A4
Alprafenone SCHEMBL1231193 0.76 ADRB2 (0.53) CASRMEN1KMT2ASLC6A4SLC6A3
Diprafenone SCHEMBL563653 0.72 MEN1 (0.80) ABCB1MEN1KMT2ASLC6A4SLC6A3
SCHEMBL9815362 0.72 MEN1 (0.53) CASRABCB1MEN1KMT2AADRB2
Diprafenone SCHEMBL8862790 0.71 MEN1 (0.82) ABCB1MEN1KMT2ASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9815365 0.71 MEN1 (0.55) CASRABCB1MEN1KMT2AADRB2
Hydrochloric Acid SCHEMBL5517365 0.70 CASR (0.82) CASRKMT2ASLC6A4SLC6A3KCNH2
SCHEMBL14383077 0.70 CASR (0.78) CASRSLC6A4SLC6A3KCNH2ADRB2

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-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
EP-0219130-B1 HEAT AND PRESSURE SENSITIVE RECORDING MATERIAL Naigai Carbon Ink Co., Ltd. (JP) 1991-09-18 EP claimed