SCHEMBL9028963

SCHEMBL9028963

COC=CC(=O)O.FC(=Cc1ccccc1)c1nc(-c2ccc(F)cc2)c(Br)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
MAPK14 Q16539 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
DHODH Q02127 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 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
SCHEMBL9028748 0.89 ALDH1A1 (0.36) PTGDR2ALDH1A1PKMDHODHPTGS2
SCHEMBL9028472 0.77 PTGER1 (0.37) PKMMEN1KMT2ADHODH
SCHEMBL9027553 0.74 PTGDR2 (0.34) PTGDR2ALDH1A1PKMPOLBDHODH
SCHEMBL9027009 0.73 MAPT (0.45) ALDH1A1MEN1KMT2A
SCHEMBL9028452 0.70 TRPA1 (0.34) MEN1KMT2A
SCHEMBL9026772 0.69 MAPT (0.46) MEN1KMT2A
SCHEMBL9029415 0.69 MAPT (0.45) ALDH1A1MEN1KMT2A
SCHEMBL9027944 0.68 NPC1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL9120058 0.67 AKR1C3 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL9028607 0.65 MAPT (0.44) ALDH1A1MEN1KMT2A

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 4 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
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 claimed
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