SCHEMBL25438024

SCHEMBL25438024

COc1ccc[n+](NC(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
STAT1 P42224 1/20 0.35
HTT P42858 1/20 0.35

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
Ethoxycarbonyl Group SCHEMBL31274005 0.71 RAB9A (0.34) CA12CA1CA7CA14ALDH1A1
SCHEMBL26415684 0.71 HTT (0.41) PABPC1L3MBTL1CA12CA1CA7
SCHEMBL281590 0.70 RAB9A (0.59) ALDH1A1NPC1RAB9ALMNAMAPT
Bromide SCHEMBL26128657 0.70 HTT (0.43) PABPC1L3MBTL1GAAALDH1A1KDM4E
SCHEMBL15647155 0.65 ALDH1A1 (0.49) GFERHSD17B10L3MBTL1ALDH1A1KDM4E
SCHEMBL1342005 0.65 SMN1; SMN2 (0.61) L3MBTL1GAAALDH1A1KDM4ENPC1
SCHEMBL8243951 0.64 LMNA (0.47) CA12CA1CA7CA14ALDH1A1
SCHEMBL31476384 0.64 RAB9A (0.52) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL31476378 0.64 RAB9A (0.52) ALDH1A1NPC1RAB9ALMNAMAPT
Anisole SCHEMBL27782485 0.64 CA4 (0.54) HSD17B10CA1GAAALDH1A1KDM4E

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-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed