SCHEMBL194971

SCHEMBL194971

O=C(O)c1ccccc1NCC1CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.63
LIPC P11150 1/20 0.58
LIPG Q9Y5X9 1/20 0.58
ALDH1A1 P00352 4/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 4/20 0.54
AGTR1 P30556 1/20 0.54
RAB9A P51151 1/20 0.54
POLB P06746 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
FABP4 P15090 2/20 0.50
CLCN2 P51788 1/20 0.47
FABP3 P05413 1/20 0.47
FABP5 Q01469 1/20 0.47
ASPH Q12797 1/20 0.47
RIOX2 Q8IUF8 1/20 0.47
KDM8 Q8N371 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46

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
SCHEMBL11503155 0.92 KDM4C (0.66) KDM4CLIPCLIPGALDH1A1HPGD
SCHEMBL1715784 0.89 KDM4C (0.52) KDM4CLIPCLIPGALDH1A1HPGD
SCHEMBL22029499 0.84 KDM4C (0.54) KDM4CLIPCLIPGALDH1A1HPGD
SCHEMBL28912678 0.84 KDM4C (0.54) KDM4CLIPCLIPGALDH1A1HPGD
SCHEMBL28948493 0.82 KDM4C (0.51) KDM4CLIPCLIPGALDH1A1HPGD
SCHEMBL29668628 0.81 HPGD (0.50) KDM4CALDH1A1HPGDHSD17B10KDM4E
SCHEMBL30002422 0.81 HPGD (0.50) KDM4CALDH1A1HPGDHSD17B10KDM4E
SCHEMBL13280242 0.79 KDM4C (0.56) KDM4CLIPCLIPGALDH1A1KDM4E
SCHEMBL13279926 0.79 KDM4C (0.56) KDM4CLIPCLIPGALDH1A1HPGD
SCHEMBL15286373 0.78 KDM4C (1.00) KDM4CKDM4E

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-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO disclosed
EP-1228042-A2 TETRAHYDROQUINOLINE DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 2002-08-07 EP disclosed
WO-2001012606-A2 TETRAHYDROQUINOLINE DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 2001-02-22 WO disclosed