SCHEMBL6990054

SCHEMBL6990054

CCOS(=O)(=O)CC1OCCc2cc(S(C)(=O)=O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 6/20 0.35
THRB P10828 1/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA12 O43570 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6995726 0.81 HTR1D (0.48) MEN1KMT2AMAPTALDH1A1THRB
SCHEMBL6630124 0.81 HTR1A (0.38) HTR6MEN1KMT2AMAPTALDH1A1
SCHEMBL6811873 0.80 HTR6 (0.39) HTR6MEN1KMT2AALDH1A1THRB
SCHEMBL6995396 0.79 HTR1D (0.51) MEN1KMT2AMAPTALDH1A1THRB
SCHEMBL6917704 0.70 HTT (0.41) MAPTALDH1A1DRD2DRD4HTT
SCHEMBL6812183 0.69 HTT (0.38) ALDH1A1THRBDRD2DRD4CA1
SCHEMBL6808621 0.69 HTR2C (0.39) HTR6ALDH1A1DRD2DRD4CA1
SCHEMBL20718641 0.67 MAPT (0.41) MAPTALDH1A1THRBDRD2HTT
SCHEMBL13197463 0.65 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1THRB
SCHEMBL6811100 0.65 CA7 (0.48) HTR6DRD2DRD4CA1CA2

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-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 WO disclosed