SCHEMBL9404786

SCHEMBL9404786

CC(C)CC(=O)Oc1ccc(CCN)cc1OC(=O)CC(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.68
KDM4E B2RXH2 3/20 0.50
ATM Q13315 1/20 0.50
ADRB2 P07550 2/20 0.49
ADRA2A P08913 2/20 0.49
DRD2 P14416 2/20 0.49
DRD1 P21728 2/20 0.49
ADRA1A P35348 2/20 0.49
DRD3 P35462 2/20 0.49
ADRA2C P18825 1/20 0.49
TAAR1 Q96RJ0 4/20 0.47
MAPK1 P28482 3/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.46
GLA P06280 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 2/20 0.45
MEN1 O00255 2/20 0.45

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
SCHEMBL7441616 0.83 ADRB2 (0.69) ALOX15KDM4EATMADRB2ADRA2A
SCHEMBL9404857 0.82 ALOX15 (0.67) ALOX15KDM4EATMADRB2ADRA2A
Hydrochloric Acid SCHEMBL9404962 0.82 ADRA2A (0.68) ALOX15KDM4EATMADRB2ADRA2A
SCHEMBL9404814 0.81 ALOX15 (0.63) ALOX15ADRB2ADRA2ADRD2DRD1
SCHEMBL10483834 0.81 KDM4E (0.56) KDM4EATMADRB2ADRA2ADRD2
Hydrochloric Acid SCHEMBL9404927 0.81 ALOX15 (0.65) ALOX15KDM4EATMADRB2ADRA2A
SCHEMBL9587296 0.80 ALOX15 (0.62) ALOX15ADRB2ADRA2ADRD2DRD1
Hydrochloric Acid SCHEMBL16115113 0.80 KDM4E (0.54) KDM4EATMADRB2ADRA2ADRD2
SCHEMBL9404987 0.79 ALOX15 (0.63) ALOX15KDM4EATMADRB2ADRA2A
SCHEMBL2816724 0.79 ALOX15 (0.61) ALOX15KDM4EMAPK1MEN1KMT2A

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-0431942-B1 Percutaneously absorbable pharmaceutical preparation containing dopamine derivative SANSHO CO (JP) 1994-03-23 EP disclosed
EP-0431942-A2 Percutaneously absorbable pharmaceutical preparation containing dopamine derivative SANSHO CO., LTD. (JP) 1991-06-12 EP disclosed