SCHEMBL11024643

SCHEMBL11024643

Cc1cc2c(cc1C)OC(COS(=O)(=O)c1cc(O)ccc1C)CO2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
AIMP2 Q13155 1/20 0.38
CA2 P00918 5/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
MTNR1A P48039 1/20 0.35
ESR1 P03372 1/20 0.34
ATM Q13315 1/20 0.34
ESR2 Q92731 1/20 0.34
FFAR1 O14842 3/20 0.33
HTR6 P50406 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL11025933 0.90 MEN1 (0.48) MEN1KMT2AAIMP2CA2ALDH1A1
SCHEMBL11039272 0.88 CA2 (0.43) MEN1KMT2AAIMP2CA2DRD2
SCHEMBL11037968 0.88 CA2 (0.48) MEN1KMT2AAIMP2CA2DRD2
SCHEMBL11202160 0.86 MAPT (0.41) MEN1KMT2AAIMP2DRD2DRD4
SCHEMBL11027071 0.84 MEN1 (0.38) MEN1KMT2AAIMP2CA2DRD2
SCHEMBL11213080 0.84 MEN1 (0.38) MEN1KMT2AAIMP2CA2DRD2
SCHEMBL6956315 0.82 PRMT5 (0.47) MEN1KMT2AALDH1A1GAAPKM
SCHEMBL11215438 0.82 FFAR1 (0.43) MEN1KMT2AAIMP2CA2FFAR1
SCHEMBL11206081 0.80 MEN1 (0.42) MEN1KMT2AAIMP2CA2ALDH1A1
SCHEMBL11102654 0.79 LMNA (0.48) MEN1KMT2ACA2ALDH1A1PKM

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