SCHEMBL4412431

SCHEMBL4412431

CC(C)(C)OC(=O)N1CCC[C@H]1C(O)c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
GPR119 Q8TDV5 2/20 0.46
USP30 Q70CQ3 3/20 0.41
HSD11B1 P28845 1/20 0.41
RAB9A P51151 2/20 0.40
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BCHE P06276 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
PAX8 Q06710 1/20 0.38
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2841930 0.84 HPGD (0.46) HSD11B1RAB9AHPGDCYP1A2CYP2C9
SCHEMBL2841931 0.84 HPGD (0.46) HSD11B1RAB9AHPGDCYP1A2CYP2C9
SCHEMBL12324931 0.82 GPR119 (0.47) L3MBTL1GPR119USP30
SCHEMBL4408401 0.80 KMT2A (0.42) MEN1KMT2A
SCHEMBL4409429 0.80 KLK5 (0.40) L3MBTL1GPR119BCHEKMT2ATSHR
SCHEMBL29997863 0.78 KLK7 (0.45) L3MBTL1GPR119CYP2C9HSD17B10MEN1
SCHEMBL1843454 0.78 KLK7 (0.45) L3MBTL1GPR119CYP2C9HSD17B10MEN1
SCHEMBL28194949 0.78 KLK7 (0.45) L3MBTL1GPR119CYP2C9HSD17B10MEN1
SCHEMBL13997813 0.78 KLK7 (0.45) L3MBTL1GPR119CYP2C9HSD17B10MEN1
SCHEMBL24928632 0.78 EPHX2 (0.42) L3MBTL1MEN1KMT2AKDM4ETSHR

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-7608577-B2 Peptidyl ketones as inhibitors of DPIV OSI PHARMACEUTICALS, INC. (US) 2009-10-27 US disclosed
US-5547978-A ENDOPEPTIDASE INHIBITORS MEIJI SEIKA KAISHA, LTD. (JP) 1996-08-20 US disclosed