SCHEMBL28301018

SCHEMBL28301018

CC(C)c1nc(C[SH](=O)=O)nc(-c2ccc(F)cc2)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.41
DHODH Q02127 11/20 0.37
PDE10A Q9Y233 1/20 0.34
HMGCR P04035 1/20 0.34

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
SCHEMBL10153184 0.79 GCGR (0.43) GCGRDHODHPDE10A
SCHEMBL6082682 0.78 ADORA2A (0.44) GCGRDHODHPDE10A
SCHEMBL10129581 0.76 DHODH (0.44) GCGRDHODHPDE10A
SCHEMBL10434011 0.76 HMGCR (0.44) GCGRDHODHPDE10AHMGCR
SCHEMBL28300700 0.76 ADORA1 (0.47) GCGRDHODHPDE10A
SCHEMBL10433875 0.76 HMGCR (0.48) GCGRDHODHPDE10AHMGCR
SCHEMBL28300691 0.75 PTGS2 (0.42) GCGRDHODHHMGCR
SCHEMBL28302219 0.75 ADORA1 (0.46) GCGRDHODHPDE10A
SCHEMBL28873881 0.73 GCGR (0.39) GCGR
SCHEMBL2651071 0.73 GCGR (0.56) GCGR

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
CN-109796414-A A method of continuously preparing Rosuvastatin intermediate using microchannel module reaction unit 中国药科大学 2019-05-24 CN claimed
CN-109796414-A A method of continuously preparing Rosuvastatin intermediate using microchannel module reaction unit 中国药科大学 2019-05-24 CN disclosed