SCHEMBL9490621

SCHEMBL9490621

ONC1CCCc2cc(OCc3ccc(Cl)cc3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.52
MAOA P21397 3/20 0.52
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
SCN3A Q9NY46 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
HPD P32754 1/20 0.42
MMP2 P08253 1/20 0.42

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
SCHEMBL9490891 0.88 ALDH1A1 (0.50) SPHK2SCN3ANPC1RAB9AALDH1A1
SCHEMBL9487573 0.88 TAOK1 (0.53) MAOBMAOASCN3ANPC1RAB9A
SCHEMBL9492340 0.84 GAA (0.48) MAOBSCN3AALDH1A1MAPT
SCHEMBL9488534 0.81 SMPD1 (0.48) MAOBMAOASPHK2SCN3ANPC1
SCHEMBL9488808 0.80 LIPG (0.57) MAOBMAOASCN3AMAPTMMP2
SCHEMBL9491587 0.78 TAOK1 (0.53) MAOBMAOA
SCHEMBL9492132 0.77 HRH3 (0.47) SCN3ANPC1RAB9AALDH1A1MAPT
SCHEMBL9492388 0.76 MAOA (0.49) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL9490515 0.75 TAS1R3 (0.56) MAOBMAOAALDH1A1MAPTTAS1R3
SCHEMBL9490780 0.73 CYSLTR1 (0.50)

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-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP disclosed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO disclosed