SCHEMBL29988313

SCHEMBL29988313

O=C(O)[C@H]1CC[C@H](c2nnc(C3CCC(C(F)(F)F)CC3)o2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GRM5 P41594 3/20 0.33
TBK1 Q9UHD2 1/20 0.33
ADCY1 Q08828 5/20 0.33
EPHX2 P34913 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
HDAC3 O15379 1/20 0.32
CYP2C9 P11712 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ADCY8 P40145 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL29988165 0.91 AKR1C3 (0.34) PDK2NPC1RAB9AADCY1EPHX2
SCHEMBL408394 0.87 NPC1 (0.42) NPC1RAB9AADCY1EPHX2AKR1C3
SCHEMBL439761 0.87 NPC1 (0.42) NPC1RAB9AADCY1EPHX2AKR1C3
SCHEMBL29988139 0.82 ADCY1 (0.36) PDK2GRM5ADCY1EPHX2ADCY8
Trifluoroacetic Acid SCHEMBL29987840 0.81 SMYD3 (0.35) PDK2TBK1ADCY1EPHX2HDAC3
SCHEMBL671389 0.79 LMNA (0.43) NPC1RAB9AAKR1C3AKR1C1MEN1
SCHEMBL671388 0.79 LMNA (0.43) NPC1RAB9AAKR1C3AKR1C1MEN1
SCHEMBL1240344 0.79 LMNA (0.43) NPC1RAB9AAKR1C3AKR1C1MEN1
SCHEMBL408425 0.79 TNKS (0.39) NPC1RAB9AADCY1EPHX2AKR1C3
SCHEMBL440024 0.79 TNKS (0.39) NPC1RAB9AADCY1EPHX2AKR1C3

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