SCHEMBL19908366

SCHEMBL19908366

C=CCCOc1oc2ccc(C)cc2c(=O)c1CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
RXFP1 Q9HBX9 3/20 0.40
TP53 P04637 2/20 0.40
ALPG P10696 1/20 0.39
NQO1 P15559 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36

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
SCHEMBL19908187 0.88 MAPT (0.44) MAPTRXFP1TP53ALPGNQO1
SCHEMBL747965 0.87 APP (0.33) MAPTNPC1RAB9AHSD17B10ALDH1A1
SCHEMBL19908186 0.87 MAPT (0.46) MAPTRXFP1TP53ALPGNQO1
SCHEMBL19908166 0.85 MAPT (0.50) MAPTRXFP1TP53ALPGNQO1
SCHEMBL19908194 0.79 MAPT (0.40) MAPTRXFP1TP53ALPGNQO1
SCHEMBL19908129 0.75 MAPT (0.38) MAPTRXFP1TP53ALPGNQO1
SCHEMBL8714423 0.74 NQO1 (0.46) MAPTRXFP1TP53ALPGNQO1
SCHEMBL344030 0.74 CYP2A6 (0.37) MAPTNPC1RAB9ATSHRHSD17B10
SCHEMBL69420 0.73 APP (0.39) MAPTNPC1RAB9AHSD17B10ALDH1A1
SCHEMBL29451185 0.73 APP (0.39) MAPTNPC1RAB9AHSD17B10ALDH1A1

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