SCHEMBL9029115

SCHEMBL9029115

COC=C(C(=O)O)c1ccccc1C=C(F)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
CES2 O00748 1/20 0.42
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SRD5A2 P31213 1/20 0.40
RXFP1 Q9HBX9 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
PTBP1 P26599 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNK3 O14649 1/20 0.39
MEN1 O00255 1/20 0.39
NQO2 P16083 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9566877 0.82 KMT2A (0.44) MAOBLMNAKMT2AALDH1A1POLB
SCHEMBL9566823 0.81 KMT2A (0.39) MAOBLMNAKMT2AALDH1A1KDM4E
SCHEMBL9029452 0.81 KMT2A (0.39) MAOBLMNAKMT2AALDH1A1KDM4E
SCHEMBL7144375 0.79 MAOB (0.44) MAOBLMNANPSR1KMT2AKDM4E
SCHEMBL7144373 0.79 MAOB (0.44) MAOBLMNANPSR1KMT2AKDM4E
SCHEMBL9401168 0.76 GAA (0.44) MAOBCES2LMNANPSR1SRD5A2
SCHEMBL28381095 0.76 MAOB (0.55) MAOBCES2LMNANPSR1RXFP1
SCHEMBL28381098 0.76 MAOB (0.55) MAOBCES2LMNANPSR1RXFP1
SCHEMBL9029522 0.75 KDM4E (0.34) MAOBKMT2AALDH1A1KDM4EPOLB
SCHEMBL7138590 0.75 MAOB (0.41) MAOBCES2LMNANPSR1KMT2A

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 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