SCHEMBL10508353

SCHEMBL10508353

CCOC(=O)C(C(=O)OCC)c1csc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
ABCB1 P08183 1/20 0.47
PI4KB Q9UBF8 1/20 0.45
LMNA P02545 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PTPRB P23467 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GAA P10253 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
LCK P06239 2/20 0.39

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
SCHEMBL10884920 0.88 SMN1; SMN2 (0.46) SMN1; SMN2ABCB1PI4KBLMNAKCNH2
SCHEMBL22017474 0.88 SMN1; SMN2 (0.46) SMN1; SMN2ABCB1PI4KBLMNAKCNH2
SCHEMBL28375087 0.88 SMN1; SMN2 (0.46) SMN1; SMN2ABCB1PI4KBLMNAKCNH2
SCHEMBL10924435 0.86 SMN1; SMN2 (0.44) SMN1; SMN2ABCB1PI4KBLMNAKCNH2
SCHEMBL1199993 0.85 SMN1; SMN2 (0.43) SMN1; SMN2ABCB1PI4KBLMNAKCNH2
SCHEMBL5407192 0.84 SMN1; SMN2 (0.42) SMN1; SMN2ABCB1PI4KBLMNAKCNH2
SCHEMBL5409487 0.83 SMN1; SMN2 (0.42) SMN1; SMN2ABCB1PI4KBLMNAKCNH2
SCHEMBL10995813 0.82 ABCB1 (0.41) SMN1; SMN2ABCB1PI4KBLMNAKCNH2
SCHEMBL10508364 0.81 ABCB1 (0.40) SMN1; SMN2ABCB1PI4KBLMNAKCNH2
SCHEMBL9076894 0.81 ABCB1 (0.40) SMN1; SMN2ABCB1PI4KBLMNAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0168025-B1 PROCESS FOR PRODUCING AMINOTHIAZOLYLPROPENDICARBOXYLIC ACID MONOESTERS SHIONOGI & CO., LTD. (JP) 1989-09-27 EP disclosed
US-4652652-A PENICILLIN OR CEPHALOSPORIN INTERMEDIATE SHIONOGI & CO., LTD. (JP) 1987-03-24 US disclosed
EP-0168025-A1 Process for producing aminothiazolylpropendicarboxylic acid monoesters SHIONOGI & CO., LTD. (JP) 1986-01-15 EP disclosed