SCHEMBL9845102

SCHEMBL9845102

CCCNCCc1ccc(OC2CCC2)c(OC2CCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.49
SIGMAR1 Q99720 2/20 0.47
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PDE4B Q07343 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR5A P47898 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC1 Q13547 1/20 0.40

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
SCHEMBL9845131 0.97 RECQL (0.52) RECQLSIGMAR1MEN1KMT2APDE4B
SCHEMBL9845125 0.96 RECQL (0.51) RECQLSIGMAR1MEN1KMT2APDE4B
SCHEMBL9845132 0.94 SIGMAR1 (0.49) RECQLSIGMAR1MEN1KMT2APDE4B
SCHEMBL9845096 0.90 RECQL (0.50) RECQLMEN1KMT2APDE4BLMNA
SCHEMBL9845100 0.87 RECQL (0.53) RECQLMEN1KMT2APDE4BLMNA
SCHEMBL9845120 0.86 RECQL (0.52) RECQLMEN1KMT2APDE4BLMNA
SCHEMBL9845110 0.84 RECQL (0.46) RECQLSIGMAR1MEN1KMT2APDE4B
SCHEMBL9845099 0.82 RECQL (0.47) RECQLMEN1KMT2APDE4BLMNA
SCHEMBL9845092 0.78 RECQL (0.49) RECQLMEN1KMT2APDE4BLMNA
SCHEMBL9845130 0.77 RECQL (0.45) RECQLMEN1KMT2APDE4BLMNA

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