SCHEMBL19908196

SCHEMBL19908196

CCCCc1c(OC(C)C)oc2ccc(C)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.42
MAPT P10636 4/20 0.41
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 3/20 0.40
TP53 P04637 2/20 0.40
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
CSNK2A1 P68400 2/20 0.39
NQO1 P15559 1/20 0.39
ALPG P10696 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
USP2 O75604 2/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 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
SCHEMBL343449 0.88 KDM4E (0.35) ADORA3MAPTTP53NPC1RAB9A
SCHEMBL19908129 0.83 MAPT (0.38) ADORA3MAPTHTTRXFP1TP53
SCHEMBL19908186 0.82 MAPT (0.46) MAPTHTTRXFP1TP53CSNK2A2
SCHEMBL13243729 0.80 ALDH1A1 (0.36) ADORA3MAPTTP53NPC1RAB9A
SCHEMBL19908187 0.78 MAPT (0.44) MAPTHTTRXFP1TP53CSNK2A2
SCHEMBL19908166 0.78 MAPT (0.50) MAPTHTTRXFP1TP53CSNK2A2
SCHEMBL5491757 0.74 TTR (0.34) THRBKDM4EALDH1A1HSD17B10HPGD
SCHEMBL13038104 0.72 ALDH1A1 (0.39) MAPTRXFP1TP53NPC1RAB9A
SCHEMBL3657351 0.72 LTB4R (0.37) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL19908366 0.72 MAPT (0.40) MAPTHTTRXFP1TP53CSNK2A2

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