SCHEMBL9028837

SCHEMBL9028837

COC=C(C=C(F)c1cccc(-c2cccc(C(F)(F)F)c2)c1)C(=O)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAOB P27338 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
NR4A2 P43354 1/20 0.36
XDH P47989 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PIN1 Q13526 1/20 0.36
CES2 O00748 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL9029116 0.79 MEN1 (0.39) CYP1A2MAPTTDP1ALDH1A1MAOB
SCHEMBL9027832 0.73 ZDHHC2 (0.31) CNR2CYP1A2CYP2C19MAPTALDH1A1
SCHEMBL9028833 0.71 MAOB (0.46) CNR2MAPTALDH1A1RXFP1MAOB
SCHEMBL7824610 0.68 PDK2 (0.54) CNR2CYP1A2CYP2C19PLGPLAU
SCHEMBL9029115 0.68 MAOB (0.43) MAPTTDP1ALDH1A1RXFP1MAOB
SCHEMBL9401109 0.68 ALDH1A1 (0.39) CNR2ALDH1A1RXFP1MAOBXDH
SCHEMBL8956617 0.68 CES2 (0.61) MAPTALDH1A1MAOBCES2MEN1
SCHEMBL8956626 0.68 CES2 (0.61) MAPTALDH1A1MAOBCES2MEN1
SCHEMBL30393660 0.68 RXRA (0.63) CNR2ALDH1A1MRGPRX4NR4A2KDM4E
SCHEMBL177461 0.68 RXRA (0.63) CNR2ALDH1A1MRGPRX4NR4A2KDM4E

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