SCHEMBL8870974

SCHEMBL8870974

O[C@@H](OCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.54
SLC6A4 P31645 3/20 0.54
SLC6A3 Q01959 3/20 0.54
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CNR2 P34972 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.42
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
MEN1 O00255 2/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL692556 0.87 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL19677122 0.85 SLC1A3 (0.42) SLC6A2SLC6A4SLC6A3IDO1MEN1
SCHEMBL23476703 0.85 CYP1A2 (0.50) SLC6A2SLC6A4SLC6A3IDO1TDO2
SCHEMBL11100448 0.81 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL10334898 0.79 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL15061660 0.79 CA7 (0.42) SLC6A2SLC6A4SLC6A3MEN1SLC1A3
SCHEMBL9291604 0.78 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL28505841 0.74 CHRNB2 (0.65) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL4058254 0.73 PPARG (0.49) SLC6A2SLC6A4SLC6A3CNR2PPARG
SCHEMBL6832293 0.73 TSHR (0.50) SLC6A2SLC6A4SLC6A3POLBKMT2A

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
US-5698567-A LIPOXYGENASE INHIBITOR ADIR ET COMPAGNIE (FR) 1997-12-16 US disclosed