SCHEMBL7989930

SCHEMBL7989930

C[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
PPARA Q07869 1/20 0.43
STS P08842 1/20 0.43
KLK7 P49862 1/20 0.42
KLK5 Q9Y337 1/20 0.42
P2RX7 Q99572 2/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
YAP1 P46937 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
USP19 O94966 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
APOBEC3A P31941 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
SCHEMBL7989927 1.00 GPR119 (0.45) GPR119KDM4EPKMPPARASTS
SCHEMBL6920972 0.88 KLK7 (0.46) GPR119KDM4EPKMPPARASTS
SCHEMBL6920978 0.88 KLK7 (0.46) GPR119KDM4EPKMPPARASTS
SCHEMBL25819373 0.87 GPR119 (0.51) GPR119KDM4EPKMPPARASTS
SCHEMBL7496058 0.87 GPR119 (0.51) GPR119KDM4EPKMPPARASTS
SCHEMBL7497146 0.87 GPR119 (0.51) GPR119KDM4EPKMPPARASTS
SCHEMBL6920826 0.87 KDM4E (0.41) GPR119KDM4EPKMPPARASTS
SCHEMBL19817418 0.86 PPARA (0.51) PPARAUSP19
SCHEMBL19817419 0.86 PPARA (0.51) PPARAUSP19
SCHEMBL19817415 0.86 PPARA (0.51) PPARAUSP19

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-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed