SCHEMBL9013025

SCHEMBL9013025

COC(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 9/20 0.79
PPARG P37231 4/20 0.79
CA9 Q16790 1/20 0.64
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 1/20 0.60
SAE1 Q9UBE0 1/20 0.60
UBA2 Q9UBT2 1/20 0.60
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL9013028 1.00 AKR1B1 (0.79) AKR1B1PPARGCA9MAPTKDM4E
SCHEMBL21783127 0.88 PPARG (0.81) AKR1B1PPARGMAPTPOLBMEN1
SCHEMBL28374629 0.88 PPARG (0.81) AKR1B1PPARGMAPTPOLBMEN1
SCHEMBL9011343 0.85 AKR1B1 (0.84) AKR1B1CA9MAPT
SCHEMBL9011346 0.85 AKR1B1 (0.84) AKR1B1CA9MAPT
SCHEMBL20659792 0.82 AKR1B1 (0.60) AKR1B1PPARGCA9MAPTPOLB
SCHEMBL14527005 0.79 ALDH1A1 (0.67) AKR1B1CA9MAPTKDM4EMEN1
SCHEMBL14907050 0.79 MAPT (0.62) AKR1B1PPARGMAPTKDM4EPOLB
SCHEMBL16034549 0.79 MAPT (0.62) AKR1B1PPARGMAPTKDM4EPOLB
SCHEMBL21783145 0.78 PPARG (1.00) AKR1B1PPARGMAPTPOLBMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8109175-A None JP disclosed
JP-H08109175-A THIAZOLIDIN-2-ONE ESTER DERIVATIVE TORII YAKUHIN KK 1996-04-30 JP disclosed