SCHEMBL20052978

SCHEMBL20052978

CC(C)(C)C(=O)OCCS(=O)(=O)c1nnnn1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.54
MAPT P10636 7/20 0.54
TP53 P04637 6/20 0.54
LMNA P02545 5/20 0.54
HTT P42858 5/20 0.54
HPGD P15428 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
HSD17B10 Q99714 2/20 0.54
PTPRB P23467 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
NPC1 O15118 1/20 0.46
GFER P55789 1/20 0.43
HSD11B1 P28845 1/20 0.43
MEN1 O00255 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL15665061 0.91 PTPRB (0.52) ALDH1A1MAPTTP53LMNAHTT
SCHEMBL1114686 0.91 PTPRB (0.52) ALDH1A1MAPTTP53LMNAHTT
SCHEMBL13738958 0.91 PTPRB (0.52) ALDH1A1MAPTTP53LMNAHTT
SCHEMBL13739456 0.91 PTPRB (0.52) ALDH1A1MAPTTP53LMNAHTT
SCHEMBL18686907 0.81 ALDH1A1 (0.65) ALDH1A1MAPTTP53LMNAHTT
SCHEMBL20183231 0.80 ALDH1A1 (0.55) ALDH1A1MAPTTP53LMNAHTT
SCHEMBL15679446 0.79 PTPRB (0.44) ALDH1A1MAPTTP53LMNAHTT
SCHEMBL2976178 0.76 ALDH1A1 (0.69) ALDH1A1MAPTTP53LMNAHTT
SCHEMBL15664417 0.76 PTPRB (0.43) ALDH1A1MAPTTP53LMNAHTT
SCHEMBL15664415 0.76 PTPRB (0.43) ALDH1A1MAPTTP53LMNAHTT

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-9945852-B2 Method for determining the presence or absence of a biomarker ARCIS BIOTECHNOLOGY HOLDINGS LIMITED (GB) 2018-04-17 US disclosed