SCHEMBL9764006

SCHEMBL9764006

CC(C)(C)OC(=O)N1C(=O)C([C@H](O)c2ccccc2)CC1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.39
ATM Q13315 1/20 0.38
KLK7 P49862 2/20 0.36
STS P08842 1/20 0.36
KLK5 Q9Y337 1/20 0.36
KMT2A Q03164 1/20 0.36
HTRA1 Q92743 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HSD17B2 P37059 1/20 0.36
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9764011 1.00 GPR119 (0.39) GPR119ATMKLK7STSKLK5
SCHEMBL31486499 0.85 CTSL (0.44) KLK7STSKLK5
SCHEMBL10434897 0.84 HSD17B2 (0.39) GPR119KLK7STSKLK5KMT2A
SCHEMBL9763248 0.83 ACE (0.42) GPR119KLK7STSKLK5KMT2A
SCHEMBL12824561 0.81 HSD17B10 (0.36) GPR119KLK7KLK5KDM4EHSD17B10
SCHEMBL9763782 0.80 HTRA1 (0.34) GPR119KLK7KLK5HTRA1HSD17B10
SCHEMBL9763781 0.80 HTRA1 (0.34) GPR119KLK7KLK5HTRA1HSD17B10
SCHEMBL7703731 0.79 P2RX3 (0.39) GPR119KLK7KLK5KMT2A
SCHEMBL9763156 0.79 TPSAB1 (0.35) GPR119KLK7STSKLK5KMT2A
SCHEMBL9763153 0.79 TPSAB1 (0.35) GPR119KLK7STSKLK5KMT2A

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
US-5021439-A Senile dementia and memory dysfunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-04 US disclosed
EP-0367393-A2 New heterocyclic compounds, production and use thereof Takeda Chemical Industries, Ltd. (JP) 1990-05-09 EP disclosed