SCHEMBL3973150

SCHEMBL3973150

O=C(O)c1cnoc1CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.42
KDM6B O15054 5/20 0.42
KDM4C Q9H3R0 4/20 0.42
FFAR1 O14842 1/20 0.42
CES1 P23141 1/20 0.41
NCEH1 Q6PIU2 1/20 0.41
BRS3 P32247 2/20 0.41
TDO2 P48775 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DAO P14920 2/20 0.41
KDM4D Q6B0I6 2/20 0.40
KDM5B Q9UGL1 2/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ASPH Q12797 1/20 0.40
RIOX2 Q8IUF8 1/20 0.40
KDM8 Q8N371 1/20 0.40
KDM4A O75164 1/20 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
SCHEMBL3547750 0.86 HNF4A (0.49) HNF4AKDM6BKDM4CTDO2KDM4D
SCHEMBL316483 0.77 MCL1 (0.38) KDM6BKDM4CTDO2NPC1RAB9A
Hydrochloric Acid SCHEMBL10739147 0.76 MCL1 (0.37) KDM6BKDM4CTDO2NPC1RAB9A
SCHEMBL3547880 0.75 GABRP (0.45) KDM6BKDM4CBRS3KDM4DKDM5B
SCHEMBL15013626 0.74 L3MBTL1 (0.47) FFAR1NPC1RAB9ASMN1; SMN2DAO
Phthalic Acid SCHEMBL4430760 0.73 ALDH1A1 (0.70) FFAR1NPC1RAB9ASMN1; SMN2DAO
SCHEMBL9392601 0.73 KDM4E (0.31) TDO2SMN1; SMN2KDM4E
SCHEMBL11413821 0.73 KAT8 (0.45) KDM6BNPC1RAB9ASMN1; SMN2KDM4D
SCHEMBL3988801 0.73 TDO2 (0.35) HNF4AKDM4CTDO2SMN1; SMN2
SCHEMBL4145759 0.73 DHODH (0.43) KDM6BKDM4CTDO2RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed