SCHEMBL9029110

SCHEMBL9029110

C=Cc1cccc(C(F)=Cc2ccccc2)c1.COC=CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 2/20 0.40
BCHE P06276 1/20 0.37
MAOB P27338 1/20 0.37
AKR1C1 Q04828 1/20 0.37
POLB P06746 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PKM P14618 1/20 0.34
PTGS2 P35354 2/20 0.34
LMNA P02545 4/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
UNG P13051 1/20 0.33
HDAC3 O15379 1/20 0.33
TNKS O95271 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 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
SCHEMBL9028833 0.80 MAOB (0.46) KMT2AMEN1ALDH1A1MAOBNPC1
SCHEMBL9028355 0.77 MAPT (0.41) KMT2AMEN1MAOBNPC1RAB9A
SCHEMBL9120058 0.74 AKR1C3 (0.43) KMT2AMEN1ALDH1A1AKR1C1HTT
SCHEMBL9566877 0.74 KMT2A (0.44) KMT2AMEN1ALDH1A1BCHEMAOB
SCHEMBL9027944 0.71 NPC1 (0.39) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL9401168 0.71 GAA (0.44) KMT2AMEN1ALDH1A1MAOBPOLB
SCHEMBL9029116 0.70 MEN1 (0.39) KMT2AMEN1ALDH1A1BCHEMAOB
Benzaldehyde SCHEMBL9028259 0.69 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1MAOBNPC1
SCHEMBL9284038 0.68 MEN1 (0.56) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL498199 0.68 P4HB (0.56) KMT2AMEN1ALDH1A1POLBNPC1

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 1 patent. 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