SCHEMBL9116932

SCHEMBL9116932

COc1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.35
TAS1R3 Q7RTX0 5/20 0.34
TAS1R1 Q7RTX1 5/20 0.34
TAS1R2 Q8TE23 5/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 4/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 1/20 0.34
STAT3 P40763 1/20 0.34
RIPK2 O43353 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PDE2A O00408 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8493697 0.91 DHODH (0.35) DHODHTAS1R3TAS1R1TAS1R2PDE4B
SCHEMBL8729861 0.86 PDE4B (0.34) DHODHPDE4BPDE4DHPGDALDH1A1
SCHEMBL9115295 0.85 PDE4D (0.35) DHODHPDE4BPDE4D
SCHEMBL8729870 0.85 DHODH (0.33) DHODHPDE4BPDE4DHPGDALDH1A1
SCHEMBL8495847 0.85 PDE4B (0.35) DHODHTAS1R3TAS1R1TAS1R2PDE4B
SCHEMBL8491541 0.85 DHODH (0.41) DHODHTAS1R3TAS1R1TAS1R2HPGD
SCHEMBL9115217 0.85 DHODH (0.32) DHODHPDE4BPDE4DHPGDALDH1A1
SCHEMBL8752741 0.85 PDE4D (0.33) DHODHPDE4BPDE4DHPGDALDH1A1
SCHEMBL7575367 0.84 PDE4D (0.34) DHODHPDE4BPDE4DHPGDALDH1A1
SCHEMBL8491946 0.83 DHODH (0.33) DHODHTAS1R3TAS1R1TAS1R2PDE4B

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
WO-1995022904-A1 PESTICIDAL METHOD RHONE POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed