SCHEMBL9028748

SCHEMBL9028748

COC=CC(=O)O.Cc1ccccc1C=C(F)c1nc(-c2ccc(F)cc2)c(Br)s1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
PTGDR2 Q9Y5Y4 13/20 0.34
DHODH Q02127 2/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
CTSA P10619 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL9028963 0.89 PTGDR2 (0.36) ALDH1A1PKMPTGDR2DHODHPTGS2
SCHEMBL9028472 0.88 PTGER1 (0.37) PKMDHODHPTGER1PTGER4PTGER3
SCHEMBL9029415 0.81 MAPT (0.45) ALDH1A1
SCHEMBL9401101 0.77 MAPT (0.44) ALDH1A1
SCHEMBL9027553 0.76 PTGDR2 (0.34) ALDH1A1PKMPTGDR2DHODH
SCHEMBL9401102 0.76 MAPT (0.46) ALDH1A1DHODH
SCHEMBL9027438 0.75 MAPT (0.45) ALDH1A1DHODH
SCHEMBL9401171 0.73 MAPT (0.56) ALDH1A1
SCHEMBL9401114 0.72 MAPT (0.32)
SCHEMBL9028732 0.71 EIF4E (0.44) PTGER1PTGER3PTGER2

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 2 patents. 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
US-5310746-A Insecticides, miticides, nematocides ROUSSEL UCLAF (FR) 1994-05-10 US disclosed