SCHEMBL4777579

SCHEMBL4777579

O=C(O)N1CCCC[C@H]1[C@@H](O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.43
FABP4 P15090 1/20 0.42
SLC6A9 P48067 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
LMNA P02545 1/20 0.38
PTGES O14684 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4776197 0.92 ROCK2 (0.42) HSD17B2FABP4
SCHEMBL4776201 0.92 ROCK2 (0.42) HSD17B2FABP4
SCHEMBL4725342 0.88 HPGD (0.41) HSD17B2
SCHEMBL3076594 0.88 LMNA (0.44) LMNAKDM4E
SCHEMBL3076592 0.88 LMNA (0.44) LMNAKDM4E
SCHEMBL4726621 0.86 DAGLB (0.42) FABP4
SCHEMBL4726619 0.86 DAGLB (0.42) FABP4
SCHEMBL3533488 0.86 TSHR (0.45) LMNAKDM4E
SCHEMBL3517661 0.85 L3MBTL3 (0.41) FABP4SLC6A9
SCHEMBL3517602 0.85 L3MBTL3 (0.41) FABP4SLC6A9

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