SCHEMBL19908129

SCHEMBL19908129

CCCc1c(OC(C)CCC)oc2ccc(C)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
RXFP1 Q9HBX9 4/20 0.38
TP53 P04637 3/20 0.38
CSNK2A2 P19784 3/20 0.38
CSNK2B P67870 3/20 0.38
CSNK2A1 P68400 3/20 0.38
NQO1 P15559 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALPG P10696 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA3 P0DMS8 3/20 0.36
KDM4E B2RXH2 3/20 0.36
PDE10A Q9Y233 1/20 0.35
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL343890 0.87 APP (0.34) MAPTTP53NPC1RAB9AHSD17B10
SCHEMBL19908196 0.83 ADORA3 (0.42) MAPTRXFP1TP53CSNK2A2CSNK2B
SCHEMBL19908187 0.81 MAPT (0.44) MAPTRXFP1TP53CSNK2A2CSNK2B
SCHEMBL19908166 0.81 MAPT (0.50) MAPTRXFP1TP53CSNK2A2CSNK2B
SCHEMBL19908186 0.80 MAPT (0.46) MAPTRXFP1TP53CSNK2A2CSNK2B
SCHEMBL13243729 0.76 ALDH1A1 (0.36) MAPTTP53NPC1RAB9AHSD17B10
SCHEMBL6579574 0.75
SCHEMBL19908366 0.75 MAPT (0.40) MAPTRXFP1TP53CSNK2A2CSNK2B
SCHEMBL19908194 0.75 MAPT (0.40) MAPTRXFP1TP53CSNK2A2CSNK2B
SCHEMBL8714423 0.75 NQO1 (0.46) MAPTRXFP1TP53CSNK2A2CSNK2B

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-1802197-B1 FUNGICIDAL COMBINATIONS OF ACTIVE INGREDIENTS BAYER IP GMBH (DE) 2018-02-28 EP disclosed