SCHEMBL28577658

SCHEMBL28577658

NC(=O)OC1CCN(NC(=O)COc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
ATF4 P18848 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.45
ADAMTS4 O75173 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
MDH1 P40925 1/20 0.42
MDH2 P40926 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
MCHR1 Q99705 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RY14 Q15391 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A5 Q9Y345 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
SCHEMBL28577681 0.85 ATF4 (0.69) ALDH1A1ATF4
SCHEMBL21819383 0.83 ATF4 (0.72) ALDH1A1ATF4L3MBTL1MAPTLMNA
Trifluoroacetic Acid SCHEMBL21819296 0.82 ALDH1A1 (0.53) ALDH1A1ATF4L3MBTL1MAPTADAMTS4
SCHEMBL21819450 0.81 ATF4 (0.63) ALDH1A1ATF4MAPTLMNASLC6A5
SCHEMBL28587516 0.80 ATF4 (0.72) ATF4
SCHEMBL21882376 0.77 ATF4 (0.57) ALDH1A1ATF4MAPTMDH1MDH2
SCHEMBL28590128 0.74 ATF4 (0.52) ALDH1A1ATF4LMNAKMT2A
SCHEMBL16082967 0.72 LMNA (0.71) ALDH1A1ATF4L3MBTL1MAPTLMNA
Trifluoroacetic Acid SCHEMBL21819314 0.71 ATF4 (0.65) ALDH1A1ATF4MCHR1
SCHEMBL21819532 0.70 ATF4 (0.75) ALDH1A1ATF4L3MBTL1MCHR1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112912082-A Integrated stress pathway inhibitors 普拉西斯生物技术有限责任公司 2021-06-04 CN disclosed