SCHEMBL9845130

SCHEMBL9845130

CC(C)NCCc1ccc(OC2CC2)c(OC2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
PDE4B Q07343 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.39
EPHX1 P07099 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
CSNK2A1 P68400 2/20 0.38
SLC5A7 Q9GZV3 1/20 0.37

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
SCHEMBL9845099 0.96 RECQL (0.47) RECQLPDE4BLMNAPOLBATM
SCHEMBL9845092 0.94 RECQL (0.49) RECQLPDE4BLMNAHDAC1HDAC2
SCHEMBL9845110 0.81 RECQL (0.46) RECQLPDE4BLMNAPOLBATM
SCHEMBL9845132 0.79 SIGMAR1 (0.49) RECQLPDE4BLMNAPOLBATM
SCHEMBL9845100 0.78 RECQL (0.53) RECQLPDE4BLMNAHDAC1HDAC2
SCHEMBL9845096 0.78 RECQL (0.50) RECQLPDE4BLMNAPOLBATM
SCHEMBL9845102 0.77 RECQL (0.49) RECQLPDE4BLMNAPOLBATM
SCHEMBL9845131 0.77 RECQL (0.52) RECQLPDE4BLMNAHDAC1HDAC2
SCHEMBL9845120 0.77 RECQL (0.52) RECQLPDE4BLMNAHDAC1HDAC2
SCHEMBL1969068 0.76 ATM (0.67) LMNAPOLBATMKCNH2KMT2A

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