SCHEMBL8771878

SCHEMBL8771878

CC(Oc1ccccc1)C(C)N(C(=O)OC(C)(C)C)C(=O)[C@@H](N)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
SLC15A1 P46059 1/20 0.32
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
DPP4 P27487 1/20 0.31
POLB P06746 1/20 0.31
ALOX5 P09917 1/20 0.31
AKT1 P31749 2/20 0.30
NPY5R Q15761 1/20 0.30
BTN3A1 O00481 1/20 0.30

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
SCHEMBL8771997 0.85 GAA (0.35) GAA
SCHEMBL8771877 0.84 GAA (0.39) GAAPKM
SCHEMBL7346109 0.72 SLC7A5 (0.38) DPP4
SCHEMBL10424675 0.72 L3MBTL1 (0.40) L3MBTL1SLC15A1ALOX5AKT1
SCHEMBL28916845 0.71 SLC7A5 (0.43) ATMSLC15A1PKM
SCHEMBL10423913 0.71 AKT1 (0.42) L3MBTL1SLC15A1POLBAKT1
SCHEMBL8076380 0.70 HTT (0.40) GAA
SCHEMBL8771907 0.69 TSHR (0.37) CYP1A2CYP2C19POLB
SCHEMBL8060767 0.69 ALOX5 (0.53) L3MBTL1CYP1A2GAACYP2C9PKM
SCHEMBL8897007 0.69 ALOX5 (0.51) CYP1A2GAAALOX5

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
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed