SCHEMBL11401431

SCHEMBL11401431

CCC[S+]([O-])c1ccccc1-c1c(OC(=O)OC)c(C)nc(C)c1OC(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL11043062 0.91 ALDH1A1 (0.33) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL11038529 0.84 HSD17B10 (0.33) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL11258369 0.81 SMN1; SMN2 (0.43) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL11258378 0.78 MEN1 (0.44) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL6959645 0.72 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL6955861 0.72 ALDH1A1 (0.49) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL11257718 0.71 SMN1; SMN2 (0.45) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL11257732 0.68 MEN1 (0.46) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL10923076 0.68 KDM4E (0.40) ALDH1A1MAPTKDM4ENPC1HPGD
SCHEMBL10911579 0.68 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ENPC1LMNA

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
EP-0042569-A1 4,4-Disubstituted spiro-1,4-dihydropyridines, process for producing them and their use as intermediates BAYER AG (DE) 1981-12-30 — — EP disclosed
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