SCHEMBL9845100

SCHEMBL9845100

CCNCCc1ccc(OC2CCCC2)c(OC2CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
PDE4B Q07343 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CSNK2A1 P68400 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
EPHX1 P07099 1/20 0.41
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR1A P08908 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
SCHEMBL9845120 0.99 RECQL (0.52) RECQLPDE4BMEN1KMT2ALMNA
SCHEMBL9845096 0.97 RECQL (0.50) RECQLPDE4BMEN1KMT2ALMNA
SCHEMBL9845110 0.94 RECQL (0.46) RECQLPDE4BMEN1KMT2ALMNA
SCHEMBL9845131 0.90 RECQL (0.52) RECQLPDE4BMEN1KMT2ALMNA
SCHEMBL9845125 0.89 RECQL (0.51) RECQLPDE4BMEN1KMT2ALMNA
SCHEMBL9845102 0.87 RECQL (0.49) RECQLPDE4BMEN1KMT2ALMNA
SCHEMBL9845132 0.84 SIGMAR1 (0.49) RECQLPDE4BMEN1KMT2ALMNA
SCHEMBL9845092 0.82 RECQL (0.49) RECQLPDE4BMEN1KMT2ALMNA
SCHEMBL9845099 0.80 RECQL (0.47) RECQLPDE4BMEN1KMT2ALMNA
SCHEMBL7359707 0.79 POLB (0.68) RECQLPDE4BMEN1KMT2ALMNA

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