SCHEMBL7564918

SCHEMBL7564918

Cc1ccsc1C(O)C(C)(C)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
GLA P06280 2/20 0.37
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP1A2 P05177 1/20 0.32
IDH1 O75874 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 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
SCHEMBL29387008 0.74 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2GLAGAAMAPT
SCHEMBL19277644 0.72 ALOX5 (0.42) PKMALDH1A1MAPTRAB9AALOX5
SCHEMBL2013741 0.70 ALDH1A1 (0.52) PKMALDH1A1SMN1; SMN2GLAMAPT
Hydrochloric Acid SCHEMBL27887610 0.68 MEN1 (0.43) ALDH1A1SMN1; SMN2GAAHPGDTSHR
SCHEMBL12545093 0.68 PKM (0.41) PKMALDH1A1SMN1; SMN2GLAGAA
SCHEMBL19277610 0.67 ALOX5 (0.36) PKMALDH1A1SMN1; SMN2GLARAB9A
SCHEMBL4706933 0.67 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAMAPTHPGD
SCHEMBL19277238 0.65 NPC1 (0.32) PKMALDH1A1SMN1; SMN2GLARAB9A
SCHEMBL20163227 0.65 ALDH1A1 (0.45) PKMALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL28838519 0.64 LMNA (0.51) ALDH1A1SMN1; SMN2GAAMAPTRAB9A

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
EP-0729069-B1 Benzanthrone polymerization gate in photopolymerizable composition KODAK POLYCHROME GRAPHICS CO (US) 2002-05-15 EP claimed