SCHEMBL11640433

SCHEMBL11640433

O=C(NC(SCc1ccccc1)C(=O)O)SCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
IDO1 P14902 7/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EPHX1 P07099 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL9784984 0.79 PPARG (0.52) PPARGPPARAL3MBTL1ATMPOLB
SCHEMBL3391787 0.78 PPARG (0.50) PPARGPPARAL3MBTL1ATMPOLB
SCHEMBL11637402 0.77 PPARA (0.54) PPARGPPARAATMSMN1; SMN2CA12
SCHEMBL22634087 0.72 IDO1 (0.53) L3MBTL1IDO1NOS3NOS1NOS2
SCHEMBL11572417 0.72 MME (0.59) IDO1NPSR1
SCHEMBL6954426 0.71 PPARG (0.49) PPARGPPARAL3MBTL1ATMIDO1
SCHEMBL11572384 0.71 TDP1 (0.54) PPARAL3MBTL1TDP1NPSR1CA2
SCHEMBL11574064 0.71 ALDH1A1 (0.62) POLBNPSR1CA2
SCHEMBL14602855 0.70 ALDH1A1 (0.57) IDO1NOS3NOS1NOS2SMN1; SMN2
SCHEMBL28910989 0.70 L3MBTL1 (0.48) PPARGPPARAL3MBTL1ATMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4108854-A Process for preparing substituted glycines SMITHKLINE CORPORATION (US) 1978-08-22 US disclosed
US-3997584-A Substituted glycines and intermediates thereof SMITHKLINE CORPORATION (US) 1976-12-14 US disclosed
US-3994954-A Process for preparing substituted glycines SMITHKLINE CORPORATION (US) 1976-11-30 US disclosed