SCHEMBL8765435

SCHEMBL8765435

[O]c1ccccc1OCCCBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 5/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.39
PTK2B Q14289 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 3/20 0.38
JAK2 O60674 1/20 0.38
GAA P10253 1/20 0.38
PTGS2 P35354 2/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL17911627 0.84 KDM4E (0.52) ALDH1A1HPGDSMN1; SMN2HTTL3MBTL1
SCHEMBL29755650 0.84 KDM4E (0.52) ALDH1A1HPGDSMN1; SMN2HTTL3MBTL1
SCHEMBL3658983 0.81 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2HTTL3MBTL1
SCHEMBL3015617 0.80 ALDH1A1 (0.35) ALDH1A1HPGDSMN1; SMN2HTTL3MBTL1
SCHEMBL49257 0.79 CYP1A2 (0.60) HPGDL3MBTL1MAPTNPSR1LMNA
SCHEMBL8765729 0.79 KDM4E (0.54) ALDH1A1HPGDSMN1; SMN2HTTL3MBTL1
SCHEMBL7055886 0.78 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2HTTL3MBTL1
SCHEMBL15380425 0.78 KDM4E (0.50) ALDH1A1HPGDSMN1; SMN2HTTL3MBTL1
SCHEMBL843196 0.78 MAPT (0.56) ALDH1A1L3MBTL1MAPTNPSR1LMNA
SCHEMBL29982369 0.77 HTR7 (0.58) ALDH1A1HPGDSMN1; SMN2HTTL3MBTL1

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-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed