SCHEMBL9028833

SCHEMBL9028833

COC=CC(=O)O.FC(=Cc1ccccc1)c1cccc(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 1/20 0.42
CNR2 P34972 1/20 0.41
TRPM2 O94759 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CES2 O00748 1/20 0.37
NQO2 P16083 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN5 P54829 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL9401109 0.88 ALDH1A1 (0.39) MAOBALDH1A1KDM4ECNR2RXFP1
SCHEMBL9401168 0.81 GAA (0.44) MAOBALDH1A1KDM4ELMNACES2
SCHEMBL9029110 0.80 KMT2A (0.40) MAOBALDH1A1KDM4ELMNAMAPT
SCHEMBL9028355 0.78 MAPT (0.41) MAOBLMNAMAPTMEN1NPC1
SCHEMBL9028837 0.71 CNR2 (0.40) MAOBALDH1A1KDM4ECNR2RXFP1
SCHEMBL28374551 0.70 MAPT (0.58) MAOBALDH1A1KDM4ERXFP1MAPT
SCHEMBL28374548 0.70 MAPT (0.58) MAOBALDH1A1KDM4ERXFP1MAPT
SCHEMBL9027944 0.70 NPC1 (0.39) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL9120058 0.70 AKR1C3 (0.43) ALDH1A1MEN1KMT2AAKR1C3
SCHEMBL7824610 0.70 PDK2 (0.54) CNR2CES2

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