SCHEMBL9255677

SCHEMBL9255677

O=C(O)C=CC=CC1C(F)C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.39
SLC6A2 P23975 6/20 0.39
SLC6A3 Q01959 6/20 0.39
PTGER1 P34995 2/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 2/20 0.35
NPSR1 Q6W5P4 2/20 0.34
TBXA2R P21731 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGFR P43088 1/20 0.33
PTGIR P43119 1/20 0.33
PTGDR Q13258 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL9455333 0.82 NPSR1 (0.33) SLC6A4SLC6A2SLC6A3NPSR1TSHR
SCHEMBL8846207 0.81 AKR1C3 (0.33)
SCHEMBL9190928 0.81 AKR1C3 (0.33)
SCHEMBL8967700 0.81 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3KDM4ETDP1
SCHEMBL9580540 0.80 NOS2 (0.33) SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL9580494 0.75 SLC6A2 (0.30) SLC6A4SLC6A2SLC6A3
SCHEMBL8967739 0.74 NPSR1 (0.36) SLC6A4SLC6A2SLC6A3NPSR1TSHR
SCHEMBL9191960 0.69 NPC1 (0.39) NPSR1KDM4EMEN1ALDH1A1MAPT
SCHEMBL9580493 0.68 HPGD (0.41) SLC6A4SLC6A2SLC6A3TSHRKDM4E
SCHEMBL9580479 0.68 PYGL (0.32) SLC6A4SLC6A2SLC6A3ALDH1A1

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-5459149-A Penta-2,4-dienamides and use as pesticides ROUSSEL UCLAF (FR) 1995-10-17 US disclosed