SCHEMBL4725342

SCHEMBL4725342

O=C(O)N1CCCC[C@H]1[C@@H](O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
FFAR1 O14842 1/20 0.40
CYP17A1 P05093 1/20 0.40
FASN P49327 1/20 0.40
DAGLA Q9Y4D2 5/20 0.40
HSD17B2 P37059 1/20 0.40
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABHD6 Q9BV23 3/20 0.39
HRH3 Q9Y5N1 2/20 0.39

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
SCHEMBL3076592 0.91 LMNA (0.44) TSHR
SCHEMBL3076594 0.91 LMNA (0.44) TSHR
SCHEMBL3533488 0.90 TSHR (0.45) TSHR
SCHEMBL4777579 0.88 HSD17B2 (0.43) HSD17B2
SCHEMBL4781855 0.88 DAGLB (0.46) CYP17A1MEN1KMT2A
SCHEMBL4781860 0.88 DAGLB (0.46) CYP17A1MEN1KMT2A
SCHEMBL5177302 0.87 DPP4 (0.46) TSHRSMN1; SMN2
SCHEMBL3540440 0.87 DPP4 (0.46) TSHRSMN1; SMN2
SCHEMBL4781869 0.83 USP30 (0.43) HSD17B2
SCHEMBL28381807 0.81 CYP2D6 (0.41) MAPK1TSHRSMN1; SMN2

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
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed