SCHEMBL3070644

SCHEMBL3070644

CCOC(=O)CCc1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
PTGDR2 Q9Y5Y4 2/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HPGD P15428 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
KDM1A O60341 2/20 0.51
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
NAMPT P43490 1/20 0.51
MGLL Q99685 1/20 0.50
CASP1 P29466 1/20 0.50
ROCK2 O75116 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL27342967 0.91 NPC1 (0.53) POLBCYP4F2CYP4A11PTGDR2NPC1
SCHEMBL19120696 0.89 MGLL (0.52) POLBNPC1RAB9ATP53MAPT
SCHEMBL2353279 0.87 POLB (0.58) POLBPTGDR2NPC1RAB9AHPGD
SCHEMBL21054940 0.85 POLB (0.62) POLBPTGDR2NPC1RAB9ATP53
SCHEMBL590420 0.85 POLB (0.62) POLBPTGDR2NPC1RAB9ATP53
SCHEMBL15948094 0.85 RAB9A (0.59) CYP4F2CYP4A11NPC1RAB9AHPGD
SCHEMBL3134853 0.84 NPC1 (0.48) POLBPTGDR2NPC1RAB9AHPGD
SCHEMBL592715 0.82 POLB (0.66) POLBPTGDR2NPC1RAB9AHPGD
SCHEMBL7294828 0.82 MAPT (0.73) POLBNPC1RAB9AHPGDCRHBP
SCHEMBL7999300 0.82 POLB (0.56) POLBPTGDR2NPC1RAB9ATP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795166-B2 Functional group-selective hydrogenation catalyst and functional group-selective hydrogenation method N.E. CHEMCAT CORPORATION (JP) 2010-09-14 US disclosed
US-20070155617-A1 FUNCTIONAL GROUP-SELECTIVE HYDROGENATION CATALYST AND FUNCTIONAL GROUP-SELECTIVE HYDROGENATION METHOD N. E. CHEMCAT CORPORATION (JP) 2007-07-05 US disclosed
CN-1043647-C Novel peptide compounds FUJISAWA PHARMACEUTICAL CO (JP) 1999-06-16 CN disclosed
CN-1120047-A New peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-04-10 CN disclosed
CN-1066660-A Peptide compounds and process for preparing same FUJISAWA PHARMACEUTICAL CO (JP) 1992-12-02 CN disclosed