SCHEMBL9027438

SCHEMBL9027438

COC=CC(=O)O.Cc1ccccc1C=C(F)c1nc(-c2ccccc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
TP53 P04637 2/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PARP1 P09874 1/20 0.36
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
HCRTR1 O43613 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
DHODH Q02127 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL9401102 0.98 MAPT (0.46) MAPTTP53THRBALDH1A1PARP1
SCHEMBL9029415 0.94 MAPT (0.45) MAPTTP53ALDH1A1RAB9AMEN1
SCHEMBL9401101 0.93 MAPT (0.44) MAPTTP53THRBALDH1A1RAB9A
SCHEMBL9401171 0.93 MAPT (0.56) MAPTTHRBALDH1A1RAB9AMEN1
SCHEMBL9028732 0.89 EIF4E (0.44) MAPTTP53THRBRAB9AMEN1
SCHEMBL9027009 0.87 MAPT (0.45) MAPTTP53THRBALDH1A1PARP1
SCHEMBL9401114 0.85 MAPT (0.32) MAPT
SCHEMBL9026772 0.77 MAPT (0.46) MAPTTP53THRBRAB9AMEN1
SCHEMBL9027887 0.76 MAPT (0.40) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9028748 0.75 ALDH1A1 (0.36) ALDH1A1DHODH

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