SCHEMBL23998043

SCHEMBL23998043

CCOS(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
BCHE P06276 1/20 0.45
PTGS2 P35354 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
IDO1 P14902 2/20 0.41
AR P10275 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL24013194 0.79 HSD17B10 (0.48) ACHEPTGS2MAPTALDH1A1HSD17B10
SCHEMBL1847209 0.79 LOXL2 (0.42) ACHEMAPTALDH1A1HSD17B10CYP3A4
SCHEMBL24013189 0.77 MAPT (0.40) ACHECA1CA2BCHEPTGS2
SCHEMBL12354045 0.76 HSPB1 (0.44) ACHECA1CA2ALDH1A1HSD17B10
SCHEMBL23998042 0.75 HSD17B10 (0.44) ACHEMAPTALDH1A1HSD17B10CYP3A4
SCHEMBL25150205 0.75 RECQL (0.53) ACHEMAPTALDH1A1HSD17B10CYP3A4
SCHEMBL6747520 0.75 RECQL (0.53) ACHEMAPTALDH1A1HSD17B10CYP3A4
SCHEMBL25149380 0.73 MAPT (0.37) MAPTALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL25150270 0.73 RECQL (0.37) CYP3A4IDO1RECQL
SCHEMBL25150338 0.73 ALDH1A1 (0.43) MAPTALDH1A1CYP3A4TSHRMAPK1

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-2021225823-A1 SYNTHESIS OF VINYLIC PROTECTED ALCOHOL INTERMEDIATES AMGEN INC. (US) 2021-11-11 WO disclosed