SCHEMBL8199366

SCHEMBL8199366

CCOC(=O)c1c(-c2ccc(F)cc2)nc(CS)nc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GCGR P47871 1/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGS2 P35354 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
GRM6 O15303 1/20 0.42
PRKCZ Q05513 1/20 0.42
ADORA3 P0DMS8 3/20 0.42
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
TP53 P04637 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL15481445 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1GCGRKDM4EHPGD
SCHEMBL3843460 0.84 PRKCZ (0.52) ALDH1A1L3MBTL1GCGRKDM4EHPGD
SCHEMBL3206 0.83 GCGR (0.47) ALDH1A1L3MBTL1GCGRKDM4EHPGD
SCHEMBL7922156 0.82 ALDH1A1 (0.43) ALDH1A1L3MBTL1GCGRKDM4EHPGD
SCHEMBL3589 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1GCGRKDM4EHPGD
SCHEMBL2211 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1GCGRKDM4EHPGD
SCHEMBL9562753 0.81 ADORA3 (0.52) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL2768 0.81 PTGS2 (0.53) ALDH1A1L3MBTL1GCGRKDM4EHPGD
SCHEMBL8178136 0.80 GCGR (0.64) ALDH1A1L3MBTL1GCGRKDM4EHPGD
SCHEMBL2648212 0.79 GCGR (0.62) ALDH1A1L3MBTL1GCGRKDM4EHPGD

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
WO-2008059519-A2 A PROCESS FOR THE PREPARATION OF INTERMEDIATES OF ROSUVASTATIN GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-05-22 WO disclosed