SCHEMBL9029522

SCHEMBL9029522

COC=C(C(=O)O)c1ccccc1C=C(F)c1nc(C(F)(F)F)cs1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAOB P27338 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGER1 P34995 1/20 0.30
SDHB P21912 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
SCHEMBL9028092 0.81 TP53 (0.43) KDM4EALDH1A1MEN1KMT2A
SCHEMBL9027940 0.80 MAPT (0.46) KDM4EALDH1A1MEN1KMT2A
SCHEMBL9029323 0.80 MAPT (0.41) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL9034763 0.79 MAPT (0.41) ALDH1A1POLBMEN1KMT2A
SCHEMBL9029115 0.75 MAOB (0.43) KDM4EALDH1A1POLBMAOBMEN1
SCHEMBL9027817 0.73 MAPT (0.43) KDM4EALDH1A1MEN1KMT2A
SCHEMBL9029018 0.72 PDE10A (0.39) KDM4EALDH1A1KMT2A
SCHEMBL9026598 0.71 EIF4E (0.41) KDM4EPOLB
SCHEMBL9027016 0.71 EIF4E (0.41) KDM4EPOLB
SCHEMBL9566874 0.70 EIF4E (0.44)

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 disclosed
EP-0544587-A1 Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1993-06-02 EP disclosed