SCHEMBL8684086

SCHEMBL8684086

C=C1SC(=S)N(c2ccccc2Oc2ccc(C(C)(C)C)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.39
ADAMTS5 Q9UNA0 2/20 0.35
BCL2 P10415 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 3/20 0.35
MCL1 Q07820 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
NR1H3 Q13133 2/20 0.34
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MITF O75030 1/20 0.32
TP53 P04637 1/20 0.32
NR1I2 O75469 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL8684683 0.81 PPARG (0.33) BCL2MCL1NR1H3
SCHEMBL8682882 0.69 P4HB (0.43) BCL2NPC1RAB9AHPGDMCL1
SCHEMBL6338124 0.68 MGLL (0.55) NR1H2NPSR1ALDH1A1MAPK1TDP1
SCHEMBL29754826 0.68 MGLL (0.55) NR1H2NPSR1ALDH1A1MAPK1TDP1
SCHEMBL10760113 0.67 ALDH1A1 (0.56) NPC1RAB9AHPGDKDM4EGAA
SCHEMBL8712071 0.66 MGLL (0.50) NR1H2GAAMAPTNPSR1ALDH1A1
SCHEMBL12081658 0.65 MAPT (0.54) HPGDGAANR1H3MAPTALDH1A1
SCHEMBL10134069 0.65 MEN1 (0.51) NPC1RAB9AKDM4EGAAMAPT
SCHEMBL5608665 0.63 MAPT (0.50) NPC1RAB9AHPGDKDM4EGAA
SCHEMBL29754607 0.63 MGLL (0.65) NR1H2NPSR1ALDH1A1MAPK1TDP1

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-5747517-A ALZHEIMER'S DISEASE; PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 1998-05-05 US disclosed