SCHEMBL11560698

SCHEMBL11560698

CCc1coc(-c2ccc(OC)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.55
ENPP1 P22413 1/20 0.55
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAPT P10636 3/20 0.49
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 3/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TP53 P04637 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4D Q08499 2/20 0.44
TARBP2 Q15633 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
ABCB1 P08183 1/20 0.43

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
SCHEMBL202974 0.85 ENPP3 (0.54) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL12744497 0.85 ENPP3 (0.54) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL2228844 0.83 ENPP3 (0.51) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL2225747 0.81 ENPP3 (0.50) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL6483646 0.81 NOTUM (0.52) ENPP3ENPP1MAPTNPC1RAB9A
SCHEMBL13503419 0.81 HDAC1 (0.47) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL14946450 0.80 ENPP3 (0.49) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL12996293 0.79 NPC1 (0.50) HDAC1HDAC8HDAC6MAPTNPC1
SCHEMBL14294336 0.79 LMNA (0.52) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL7158031 0.79 ESR1 (0.44) PDE4B

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
US-4178382-A INSECTICIDE FOR COTTON UNIROYAL, INC. (US) 1979-12-11 US disclosed