SCHEMBL6535800

SCHEMBL6535800

O=C1CCN1C(=O)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
FAAH O00519 5/20 0.51
NAAA Q02083 3/20 0.51
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HSD11B1 P28845 1/20 0.49
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TACR3 P29371 1/20 0.45

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
SCHEMBL6439273 0.90 LMNA (0.58) ALDH1A1FAAHNAAAL3MBTL1HSD11B1
SCHEMBL4404820 0.83 NPC1 (0.58) FAAHNAAAL3MBTL1POLBMAPT
SCHEMBL16425193 0.83 ALDH1A1 (0.45) ALDH1A1FAAHNAAAUSP2POLB
SCHEMBL14156333 0.78 ALDH1A1 (1.00) ALDH1A1L3MBTL1POLBMAPTTDP1
SCHEMBL16425199 0.78 MAPT (0.60) ALDH1A1L3MBTL1POLBMAPTSMN1; SMN2
SCHEMBL11377517 0.76 HSD17B10 (0.67) ALDH1A1FAAHNAAAUSP2GAA
SCHEMBL16337701 0.76 NAAA (0.83) ALDH1A1FAAHNAAAHSD11B1
SCHEMBL15074966 0.76 ALDH1A1 (0.42) ALDH1A1FAAHNAAAPOLBMAPT
SCHEMBL643368 0.75 PKM (0.70) ALDH1A1USP2GAAL3MBTL1HSD11B1
SCHEMBL6428172 0.75 BCHE (0.50) ALDH1A1L3MBTL1HSD11B1POLBPKM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318806-A4 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-01-21 EP claimed
EP-1318806-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-18 EP claimed
WO-2002024197-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-03-28 WO claimed
EP-1318806-A4 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-01-21 EP disclosed
EP-1318806-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-18 EP disclosed
WO-2002024197-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-03-28 WO disclosed