SCHEMBL30797201

SCHEMBL30797201

COCc1ccc(N[C@H](C)CC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
FFAR1 O14842 3/20 0.38
POLB P06746 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL30797406 0.82 KDM1A (0.44) ALDH1A1THRBMAPTFFAR1
SCHEMBL20870178 0.82 ALDH1A1 (0.47) ACACBL3MBTL1ALDH1A1SMN1; SMN2TP53
SCHEMBL5861604 0.81 HTT (0.53) L3MBTL1ALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL5861593 0.81 HTT (0.53) L3MBTL1ALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL22868105 0.78 CA12 (0.46) L3MBTL1ALDH1A1SMN1; SMN2TP53HSP90AA1
SCHEMBL5861572 0.78 ALDH1A1 (0.50) L3MBTL1ALDH1A1SMN1; SMN2TP53HSP90AA1
SCHEMBL2705958 0.78 ALDH1A1 (0.50) L3MBTL1ALDH1A1SMN1; SMN2TP53HSP90AA1
SCHEMBL4124188 0.78 ALDH1A1 (0.50) L3MBTL1ALDH1A1SMN1; SMN2TP53HSP90AA1
SCHEMBL5860319 0.77 MEN1 (0.47) L3MBTL1ALDH1A1SMN1; SMN2TP53HSP90AA1
SCHEMBL5860329 0.77 MEN1 (0.47) L3MBTL1ALDH1A1SMN1; SMN2TP53HSP90AA1

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-2023244817-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS MONTE ROSA THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed