SCHEMBL11025933

SCHEMBL11025933

Cc1ccc(O)cc1S(=O)(=O)OCC1COc2ccccc2O1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
AIMP2 Q13155 1/20 0.48
CA2 P00918 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MTNR1A P48039 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALOX15 P16050 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL11024643 0.90 MEN1 (0.38) MEN1KMT2AAIMP2CA2ALDH1A1
SCHEMBL9826628 0.89 MEN1 (0.47) MEN1KMT2AAIMP2CA2LMNA
SCHEMBL11027071 0.88 MEN1 (0.38) MEN1KMT2AAIMP2CA2L3MBTL1
SCHEMBL11213080 0.88 MEN1 (0.38) MEN1KMT2AAIMP2CA2L3MBTL1
SCHEMBL11037968 0.87 CA2 (0.48) MEN1KMT2AAIMP2CA2L3MBTL1
SCHEMBL11039272 0.87 CA2 (0.43) MEN1KMT2AAIMP2CA2L3MBTL1
SCHEMBL11215438 0.85 FFAR1 (0.43) MEN1KMT2AAIMP2CA2L3MBTL1
SCHEMBL11202160 0.85 MAPT (0.41) MEN1KMT2AAIMP2LMNAALDH1A1
SCHEMBL9824715 0.83 CA2 (0.60) CA2
SCHEMBL11206081 0.83 MEN1 (0.42) MEN1KMT2AAIMP2CA2L3MBTL1

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
EP-0068261-B1 N-OXACYCLYL-ALKYLPIPERIDINE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1985-04-03 EP disclosed
EP-0068261-A1 N-oxacyclyl-alkylpiperidine derivatives, their preparation, pharmaceutical preparations containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-05 EP disclosed