SCHEMBL9644151

SCHEMBL9644151

CCCc1nc(COC)c(C(=O)O)s1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TLR8 Q9NR97 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL9644107 0.87 HSD17B10 (0.34) HSD17B10ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL9643824 0.87 SMN1; SMN2 (0.36) HSD17B10ALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL9643784 0.85 ALDH1A1 (0.36) ALDH1A1RECQLKDM4ETLR8TSHR
SCHEMBL9642897 0.83 MEN1 (0.37) ALDH1A1SMN1; SMN2MAPTRECQLKDM4E
SCHEMBL10441533 0.81 GABRP (0.42) ALDH1A1MAPTRECQLKDM4EL3MBTL1
SCHEMBL3159335 0.81 HSD17B10 (0.37) HSD17B10ALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL9643782 0.81 ALDH1A1 (0.34) ALDH1A1RECQLKDM4ETLR8TSHR
SCHEMBL9642713 0.77 L3MBTL1 (0.40) ALDH1A1SMN1; SMN2MAPTRECQLL3MBTL1
SCHEMBL5553553 0.77 AGTR1 (0.34) ALDH1A1RECQLKDM4ENPC1GAA
SCHEMBL9643993 0.76 GABRP (0.43) ALDH1A1MAPTKDM4EL3MBTL1TLR8

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
US-5136042-A PROCESS FOR THE PREPARATION OF THIAZOLECARBOXYLIC ACID CHLORIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1992-08-04 US disclosed