SCHEMBL9028472

SCHEMBL9028472

COC=CC(=O)O.Cc1ccccc1C=C(F)c1nc(-c2ccc(Cl)c(Cl)c2)c(Br)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.37
PTGER3 P43115 2/20 0.37
PTGER2 P43116 2/20 0.37
KMO O15229 4/20 0.33
EIF4E P06730 2/20 0.33
MAPT P10636 4/20 0.32
LMNA P02545 3/20 0.32
TBXA2R P21731 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGFR P43088 1/20 0.32
PTGIR P43119 1/20 0.32
PTGDR Q13258 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
RCE1 Q9Y256 1/20 0.31
DHODH Q02127 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL9028748 0.88 ALDH1A1 (0.36) PTGER1PTGER3PTGER2PTGER4PKM
SCHEMBL9028732 0.83 EIF4E (0.44) PTGER1PTGER3PTGER2EIF4EMAPT
SCHEMBL9028920 0.81 RORB (0.33) PTGER1PTGER3PTGER2KMOEIF4E
SCHEMBL9029172 0.78 KDM4E (0.33) EIF4EMAPTLMNAKDM4EPKM
SCHEMBL9028963 0.77 PTGDR2 (0.36) PKMDHODHMEN1KMT2A
SCHEMBL9401171 0.74 MAPT (0.56) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9401101 0.74 MAPT (0.44) MAPTLMNAKDM4EMEN1HTT
SCHEMBL9401102 0.73 MAPT (0.46) MAPTKDM4EDHODHMEN1KMT2A
SCHEMBL9027438 0.72 MAPT (0.45) MAPTLMNADHODHMEN1HTT
SCHEMBL9026772 0.71 MAPT (0.46) EIF4EMAPTKDM4EMEN1KMT2A

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-0544587-B1 Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1996-05-29 EP claimed