SCHEMBL11038529

SCHEMBL11038529

COC(=O)Oc1c(C)nc(C)c(OC(=O)OC)c1-c1ccccc1[S+](C)[O-]

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 2/20 0.31
▸ POLB P06746 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 0.86 ALDH1A1 (0.33) HSD17B10KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL11401431 0.84 ALDH1A1 (0.32) HSD17B10KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL11039837 0.80 LMNA (0.36) SMN1; SMN2MAPTPOLB
SCHEMBL11254969 0.79 SMN1; SMN2 (0.48) KDM4EHPGDSMN1; SMN2MAPTPOLB
SCHEMBL6959645 0.77 ALDH1A1 (0.44) HSD17B10KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL6955861 0.76 ALDH1A1 (0.49) HSD17B10KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL11254998 0.75 MEN1 (0.49) KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL10923076 0.70 KDM4E (0.40) HSD17B10KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL10923799 0.69 SMN1; SMN2 (0.43) HSD17B10KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL10911579 0.69 ALDH1A1 (0.39) HSD17B10KDM4EHPGDSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0042566-B1 4,4-DISUBSTITUTED 1,4-DIHYDROPYRIDINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BAYER AG (DE) 1984-09-05 — — EP disclosed
EP-0042569-B1 4,4-DISUBSTITUTED SPIRO-1,4-DIHYDROPYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS INTERMEDIATES BAYER AG (DE) 1983-10-12 — — EP disclosed
EP-0042566-A1 4,4-Disubstituted 1,4-dihydropyridines, process for their preparation and their use in medicaments BAYER AG (DE) 1981-12-30 — — EP disclosed
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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