SCHEMBL10975422

SCHEMBL10975422

COc1ccc(CCNCC2CO2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
ATM Q13315 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GLA P06280 1/20 0.53
MAPT P10636 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
SMPD1 P17405 1/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
CA4 P22748 1/20 0.49
ALOX15 P16050 1/20 0.49
ADRB2 P07550 1/20 0.49
SLC2A1 P11166 1/20 0.49

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
SCHEMBL8890855 0.84 ALDH1A1 (0.67) POLBSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL9700597 0.83 HTR1A (0.49) POLBATMSMN1; SMN2KDM4EALDH1A1
SCHEMBL1965700 0.82 POLB (0.59) POLBATMSMN1; SMN2KDM4EALDH1A1
SCHEMBL7435099 0.81 ATM (0.76) POLBATMSMN1; SMN2KDM4EALDH1A1
SCHEMBL10034619 0.80 ATM (0.54) POLBATMKDM4EMAPTCA12
Hydrochloric Acid SCHEMBL11808765 0.80 ATM (0.73) POLBATMSMN1; SMN2KDM4EALDH1A1
SCHEMBL10695511 0.78 ATM (0.51) POLBATMKDM4ECA2
SCHEMBL11934839 0.77 KMT2A (0.53) POLBATMSMN1; SMN2KDM4EALDH1A1
SCHEMBL13438704 0.77 KMT2A (0.53) POLBATMSMN1; SMN2KDM4EALDH1A1
SCHEMBL1966411 0.77 ATM (0.69) POLBATMSMN1; SMN2KDM4EALDH1A1

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-0086256-B1 1-(2,4-DICHLOROPHENOXY)-3-(3,4-DIMETHOXY-BETA-PHENETHYLAMINO)-PROPAN-2-0L, PROCESSES FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT VEB Arzneimittelwerk Dresden (DD) 1985-08-21 EP claimed
EP-0086256-B1 1-(2,4-DICHLOROPHENOXY)-3-(3,4-DIMETHOXY-BETA-PHENETHYLAMINO)-PROPAN-2-0L, PROCESSES FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT VEB Arzneimittelwerk Dresden (DD) 1985-08-21 EP disclosed