SCHEMBL9566877

SCHEMBL9566877

C=Cc1cccc(/C(F)=C/c2ccccc2/C(=C/OC)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 1/20 0.44
AKR1C1 Q04828 2/20 0.37
AKR1C2 P52895 3/20 0.35
BCHE P06276 1/20 0.34
MAOB P27338 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 2/20 0.32
AKR1C3 P42330 3/20 0.32
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL9029115 0.82 MAOB (0.43) KMT2AMEN1ALDH1A1MAOBMAPT
SCHEMBL9566823 0.81 KMT2A (0.39) KMT2AMEN1ALDH1A1AKR1C1AKR1C2
SCHEMBL9029452 0.81 KMT2A (0.39) KMT2AMEN1ALDH1A1AKR1C1AKR1C2
SCHEMBL9029110 0.74 KMT2A (0.40) KMT2AMEN1ALDH1A1AKR1C1AKR1C2
SCHEMBL9029116 0.73 MEN1 (0.39) KMT2AMEN1ALDH1A1BCHEMAOB
SCHEMBL5010231 0.73 TRPA1 (0.46) KMT2AMEN1ALDH1A1AKR1C1
SCHEMBL2108465 0.73 TRPA1 (0.46) KMT2AMEN1ALDH1A1AKR1C1
SCHEMBL2108457 0.73 TRPA1 (0.46) KMT2AMEN1ALDH1A1AKR1C1
SCHEMBL2853775 0.73 TRPA1 (0.46) KMT2AMEN1ALDH1A1AKR1C1
SCHEMBL9027532 0.71 PTGDR2 (0.42) KMT2AMEN1ALDH1A1AKR1C2MAOB

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-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