SCHEMBL11809017

SCHEMBL11809017

CC(=O)C(C)C(=O)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.58
F3 P13726 1/20 0.58
SARM1 Q6SZW1 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.58
SIRT6 Q8N6T7 1/20 0.58
SIRT1 Q96EB6 1/20 0.58
SIRT3 Q9NTG7 1/20 0.58
SIRT5 Q9NXA8 1/20 0.58
SIRT4 Q9Y6E7 1/20 0.58
ALDH1A1 P00352 3/20 0.55
GAA P10253 2/20 0.55
APP P05067 1/20 0.55
HCAR3 P49019 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL82140 0.87 ALDH1A1 (0.58) F7F3SARM1SIRT2SIRT6
SCHEMBL29993557 0.85 ALDH1A1 (0.59) F7F3SARM1SIRT2SIRT6
SCHEMBL888775 0.85 ALDH1A1 (0.59) F7F3SARM1SIRT2SIRT6
SCHEMBL14490189 0.83 ALDH1A1 (0.57) F7F3SARM1SIRT2SIRT6
SCHEMBL27598428 0.82 ALDH1A1 (0.50) F7F3SARM1SIRT2SIRT6
SCHEMBL28782680 0.81 ALDH1A1 (0.55) F7F3SARM1SIRT2SIRT6
SCHEMBL18204967 0.81 ALDH1A1 (0.55) F7F3SARM1SIRT2SIRT6
SCHEMBL2585322 0.81 ALDH1A1 (0.55) F7F3SARM1SIRT2SIRT6
SCHEMBL16313508 0.81 ALDH1A1 (0.55) F7F3SARM1SIRT2SIRT6
SCHEMBL20966338 0.81 ALDH1A1 (0.55) F7F3SARM1SIRT2SIRT6

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-3969363-A CARDIOVASCULAR DISORDERS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-07-13 US disclosed