SCHEMBL11262514

SCHEMBL11262514

CCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cc(Cl)ccc1[S+](C)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PLA2G2A P14555 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ P2RY12 Q9H244 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CACNB4 O00305 1/20 0.38
▸ CACNA1A O00555 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
SCHEMBL28435242 0.82 MAPT (0.52) GAAPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL11254783 0.77 MEN1 (0.43) GAAPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL11254969 0.77 SMN1; SMN2 (0.48) GAAPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL8268871 0.74 MAPT (0.47) GAAPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL11254789 0.74 MEN1 (0.40) GAAPOLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL11254998 0.73 MEN1 (0.49) GAAALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL31231118 0.73 GAA (0.56) GAAPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL30686655 0.73 GAA (0.56) GAAPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL6949718 0.73 GAA (0.56) GAAPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL28444974 0.72 DPP4 (0.42) GAAPOLBALDH1A1SMN1; SMN2LMNA

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
US-4349675-A 4,4-Disubstituted spiro-1,4-dihydropyridines and a process for their production BAYER AKTIENGESELLSCHAFT (DE) 1982-09-14 — — US disclosed
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