SCHEMBL31185151

SCHEMBL31185151

CC(C)Oc1ccc(NC(=O)[C@H](C)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.67
ALDH1A1 P00352 6/20 0.58
KMT2A Q03164 6/20 0.58
TP53 P04637 4/20 0.58
LMNA P02545 3/20 0.58
MEN1 O00255 3/20 0.58
MAPK1 P28482 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 6/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 2/20 0.55
NLRP1 Q9C000 1/20 0.55
MCL1 Q07820 1/20 0.55
HTT P42858 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PNLIP P16233 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL31185167 1.00 GLA (0.67) GLAALDH1A1KMT2ATP53LMNA
SCHEMBL31185236 0.84 HTT (0.68) ALDH1A1KMT2ATP53LMNAMEN1
SCHEMBL29279417 0.84 HTT (0.68) ALDH1A1KMT2ATP53LMNAMEN1
SCHEMBL2091571 0.81 GLA (0.71) GLAALDH1A1KMT2ATP53LMNA
SCHEMBL6783366 0.81 GLA (0.71) GLAALDH1A1KMT2ATP53LMNA
SCHEMBL2091569 0.81 GLA (0.71) GLAALDH1A1KMT2ATP53LMNA
SCHEMBL24047280 0.80 GLA (0.69) GLAALDH1A1KMT2ATP53LMNA
SCHEMBL2095026 0.80 GLA (0.69) GLAALDH1A1KMT2ATP53LMNA
SCHEMBL5188506 0.80 GLA (1.00) GLAALDH1A1KMT2ATP53LMNA
SCHEMBL4112840 0.79 GLA (0.63) GLAALDH1A1KMT2ATP53LMNA

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-114685473-B 5-Alkyl-2-pyrazole-oxazolidine-4-ketone derivative and application thereof 杭州百新生物医药科技有限公司 2024-10-29 CN disclosed