SCHEMBL28848845

SCHEMBL28848845

CC(C)OC(=O)NCCS

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
CYP2D6 P10635 1/20 0.34
RAB9A P51151 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33

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
SCHEMBL11625479 0.82
SCHEMBL606534 0.80 ALOX15 (0.42) ALOX15SMN1; SMN2HTTLMNATSHR
SCHEMBL606535 0.80 CHRNB2 (0.49) ALOX15SMN1; SMN2HTTLMNATSHR
SCHEMBL104010 0.80 ALOX15 (0.50) ALOX15SMN1; SMN2HTTLMNATSHR
SCHEMBL13525915 0.79 ALDH1A1 (0.41) ALOX15SMN1; SMN2HTTLMNATSHR
SCHEMBL178675 0.78 SMN1; SMN2 (0.44) ALOX15SMN1; SMN2HTTLMNATSHR
SCHEMBL422850 0.78 ALOX15 (0.41) ALOX15SMN1; SMN2HTTLMNATSHR
SCHEMBL1467216 0.78 ALOX15 (0.41) ALOX15SMN1; SMN2HTTLMNATSHR
SCHEMBL12787082 0.78 ANPEP (0.43) ALOX15SMN1; SMN2HTTLMNATSHR
SCHEMBL6615472 0.78 ALOX15 (0.41) ALOX15SMN1; SMN2HTTLMNATSHR

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-115090427-A Method for improving mineral separation index of carbon-containing copper sulfide ore 昆明理工大学 2022-09-23 CN disclosed