SCHEMBL29988261

SCHEMBL29988261

COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)C2CCC(C(F)(F)F)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
POLB P06746 1/20 0.33
GLA P06280 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL2488849 0.91 SMN1; SMN2 (0.43) SMN1; SMN2TP53GAAALDH1A1MAPT
SCHEMBL21877583 0.91 SMN1; SMN2 (0.43) SMN1; SMN2TP53GAAALDH1A1MAPT
SCHEMBL29987791 0.90 SMN1; SMN2 (0.36) SMN1; SMN2TP53GAAALDH1A1MAPT
Hydrochloric Acid SCHEMBL27885527 0.87 SMN1; SMN2 (0.41) SMN1; SMN2TP53GAAALDH1A1MAPT
SCHEMBL443195 0.79 GAA (0.37) SMN1; SMN2TP53GAAALDH1A1MAPT
SCHEMBL28453534 0.79 GAA (0.42) SMN1; SMN2GAAPOLBGLA
SCHEMBL28453536 0.79 GAA (0.42) SMN1; SMN2GAAPOLBGLA
SCHEMBL443194 0.79 GAA (0.37) SMN1; SMN2TP53GAAALDH1A1MAPT
SCHEMBL2588381 0.78 TP53 (0.42) SMN1; SMN2TP53GAAPOLBSIRT5
SCHEMBL2588378 0.78 TP53 (0.42) SMN1; SMN2TP53GAAPOLBSIRT5

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
WO-2022212902-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. (US) 2022-10-06 WO disclosed