SCHEMBL9027009

SCHEMBL9027009

COC=CC(=O)O.FC(=Cc1ccccc1)c1nc(-c2ccccc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
TP53 P04637 3/20 0.43
PARP1 P09874 2/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
LMNA P02545 3/20 0.37
MAPK1 P28482 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GSTO1 P78417 1/20 0.37

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
SCHEMBL9026772 0.88 MAPT (0.46) MAPTTP53THRBMEN1KMT2A
SCHEMBL9027438 0.87 MAPT (0.45) MAPTTP53PARP1THRBALDH1A1
SCHEMBL9401102 0.86 MAPT (0.46) MAPTTP53PARP1THRBALDH1A1
SCHEMBL9028452 0.83 TRPA1 (0.34) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9401171 0.81 MAPT (0.56) MAPTTHRBALDH1A1MEN1KMT2A
SCHEMBL9401101 0.81 MAPT (0.44) MAPTTP53THRBALDH1A1MEN1
SCHEMBL9028732 0.77 EIF4E (0.44) MAPTTP53THRBMEN1KMT2A
SCHEMBL9027944 0.74 NPC1 (0.39) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL9028963 0.73 PTGDR2 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL9028607 0.72 MAPT (0.44) MAPTALDH1A1MEN1KMT2ANPC1

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 3 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