SCHEMBL7524447

SCHEMBL7524447

C=C(CCOc1ccc(Br)cc1Br)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.53
LMNA P02545 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSL P07711 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL453710 0.93 HTR1B (0.52) HTR1BLMNATDP1SMN1; SMN2ALDH1A1
SCHEMBL29419306 0.84 HTR1B (0.55) HTR1BLMNATDP1SMN1; SMN2PTGDR2
SCHEMBL511290 0.84 HTR1B (0.55) HTR1BLMNATDP1SMN1; SMN2PTGDR2
SCHEMBL7520478 0.81 KDM4E (0.54) LMNASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL3787371 0.80 TDP1 (0.36) HTR1BLMNATDP1SMN1; SMN2ALDH1A1
SCHEMBL5586405 0.80 THRB (0.42) LMNATDP1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL28554000 0.77 CYSLTR2 (0.52) HTR1BLMNATDP1SMN1; SMN2PTGDR2
SCHEMBL2317239 0.76 LMNA (0.40) HTR1BLMNATDP1SMN1; SMN2ALDH1A1
SCHEMBL10801072 0.76 TDP1 (0.62) HTR1BLMNATDP1SMN1; SMN2ALDH1A1
SCHEMBL452884 0.74 KDM4E (0.53) LMNASMN1; SMN2ALDH1A1KDM4ENPC1

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-0735062-B1 ACTINIC-RADIATION-CURABLE COMPOSITION AND LENS SHEET MITSUBISHI RAYON CO (JP) 2002-01-30 EP claimed