SCHEMBL17689147

SCHEMBL17689147

CCC1CCCC1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
PSEN1 P49768 6/20 0.41
PSEN2 P49810 6/20 0.41
APH1B Q8WW43 6/20 0.41
NCSTN Q92542 6/20 0.41
APH1A Q96BI3 6/20 0.41
PSENEN Q9NZ42 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.35
PEPD P12955 1/20 0.35
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX5 P09917 1/20 0.32
GAA P10253 1/20 0.32
GRM4 Q14833 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL14087179 1.00 EPHX1 (0.48) EPHX1PSEN1PSEN2APH1BNCSTN
SCHEMBL28117191 0.96 EPHX1 (0.54) EPHX1PSEN1PSEN2APH1BNCSTN
SCHEMBL4201563 0.86
SCHEMBL23819458 0.80 PEPD (0.45) PEPDKMT2A
SCHEMBL17827147 0.80 PEPD (0.45) PEPDKMT2A
SCHEMBL21207444 0.80 PEPD (0.45) PEPDKMT2A
SCHEMBL7912637 0.80 EPHX1 (0.45) EPHX1PSEN1PSEN2APH1BNCSTN
SCHEMBL15494112 0.80 PEPD (0.45) PEPDKMT2A
SCHEMBL2457068 0.79 EPHX1 (0.50) EPHX1PSEN1PSEN2APH1BNCSTN
SCHEMBL19217729 0.78 EPHX1 (0.48) EPHX1PSEN1PSEN2APH1BNCSTN

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
US-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 US disclosed