SCHEMBL9853719

SCHEMBL9853719

Cc1cc(Br)ccc1Oc1ccc(Cc2ccc(Oc3ccc(Br)cc3C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.44
HRH3 Q9Y5N1 1/20 0.44
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
HTR2A P28223 2/20 0.41
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL9860036 0.87 ALDH1A1 (0.45) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL9860062 0.87 ALDH1A1 (0.45) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL9860063 0.84 SLC6A4 (0.42) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL30760975 0.82 ATM (0.43) SLC6A4HRH3SLC6A2SLC6A3ALDH1A1
SCHEMBL806365 0.80 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3ALDH1A1MAPK1
SCHEMBL9860042 0.78 SLC6A4 (0.47) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL9860205 0.77 LMNA (0.53) ALDH1A1MAPK1HPGDNPSR1POLB
SCHEMBL9859653 0.77 HTT (0.46) SLC6A4SLC6A2SLC6A3ALDH1A1MAPK1
SCHEMBL2512315 0.76 ALDH1A1 (0.47) ALDH1A1TDP1CARM1PRMT6POLB
SCHEMBL22966282 0.74 MAPT (0.57) SLC6A4SLC6A2SLC6A3HTR2AALDH1A1

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-0446722-A1 Novel hydroxylated phenoxy compounds and process for their preparation Bromine Compounds Ltd. (IL) 1991-09-18 EP disclosed