SCHEMBL9028297

SCHEMBL9028297

COC=C(CCBr)C(=O)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1A P08908 1/20 0.35
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP19A1 P11511 1/20 0.33
ZDHHC2 Q9UIJ5 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
SCHEMBL6262232 0.89 ELANE (0.38) ELANEALDH1A1MAPTHTTHSD17B10
SCHEMBL29044269 0.89 ELANE (0.38) ELANEALDH1A1MAPTHTTHSD17B10
SCHEMBL8646599 0.79 ALOX15 (0.50) ALDH1A1MAPTHTTHSD17B10LMNA
SCHEMBL27848448 0.78 ELANE (0.44) ELANEALDH1A1MAPTHTTHSD17B10
SCHEMBL11869358 0.77 ELANE (0.39) ELANEALDH1A1MAPTHSD17B10KMT2A
SCHEMBL28935655 0.77 ALDH1A1 (0.40) ELANEALDH1A1MAPTHTTHSD17B10
SCHEMBL11869368 0.77 ELANE (0.39) ELANEALDH1A1MAPTHSD17B10KMT2A
SCHEMBL8646595 0.75 AKR1B1 (0.49) ELANEMAPTHSD17B10KMT2AATM
SCHEMBL4405818 0.72 ELANE (0.45) ELANEALDH1A1MAPTHTTKMT2A
SCHEMBL9380754 0.72 ELANE (0.42) ELANEALDH1A1MAPTHSD17B10KMT2A

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