SCHEMBL10387166

SCHEMBL10387166

CC(C)C[C@H]1C(O)=CC(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 8/20 0.40
KLK5 Q9Y337 7/20 0.40
PRSS1 P07477 3/20 0.36
PRSS2 P07478 3/20 0.36
PRSS3 P35030 3/20 0.36
MAPK1 P28482 2/20 0.35
GPR119 Q8TDV5 2/20 0.32
ABCG2 Q9UNQ0 2/20 0.32
MMP3 P08254 1/20 0.31
ADAM17 P78536 1/20 0.31
DPP4 P27487 1/20 0.31
ELANE P08246 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IDO1 P14902 1/20 0.31
PTPN1 P18031 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
SCHEMBL16224738 0.81 KLK7 (0.40) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL28451513 0.80 KLK7 (0.40) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL21104039 0.80 KLK7 (0.40) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL10386697 0.78 KLK7 (0.61) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL10387214 0.78 KLK7 (0.61) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL18593027 0.76 MAPK1 (0.43) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL27635233 0.76 MAPK1 (0.43) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL4663361 0.76 KLK7 (0.52) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL20734949 0.75 KLK7 (0.37) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL20734866 0.73 KLK7 (0.36) KLK7KLK5PRSS1PRSS2PRSS3

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-4978759-A REACTING MELDRUM*S ACID WITH PROTECTED AMINO ACID, CYCLIZATION DECYCLIZING, REDUCTION AND DEPROTECTING; STATINE SANOFI, S.A. AND INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1990-12-18 US disclosed