SCHEMBL8600127

SCHEMBL8600127

CCOC(=O)C(Oc1cccc2ccccc12)N(CC)S(=O)(=O)C=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.39
PPARG P37231 1/20 0.39
MAPT P10636 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
BTN3A1 O00481 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TLR9 Q9NR96 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8602050 0.92 GAA (0.38) TSHRGAAPPARGMAPTCTDSP1
SCHEMBL8601739 0.78 HTT (0.46) GAAPPARGMAPTBTN3A1ALDH1A1
SCHEMBL10390030 0.70 TSHR (0.51) TSHRGAAPPARGALDH1A1HPGD
SCHEMBL10389728 0.69 PPARG (0.49) TSHRGAAPPARGALDH1A1HPGD
SCHEMBL8601740 0.67 ALDH1A1 (0.47) GAAPPARGMAPTALDH1A1HPGD
SCHEMBL8604539 0.67 ALDH1A1 (0.42) GAAMAPTALDH1A1HPGDLMNA
SCHEMBL8604551 0.66 KDM4E (0.42) TSHRMAPTALDH1A1HPGDKMT2A
SCHEMBL8601737 0.66 GAA (0.48) GAAPPARGMAPTALDH1A1HPGD
SCHEMBL6707311 0.66 TSHR (0.47) TSHRGAAPPARGALDH1A1HPGD
SCHEMBL6447404 0.66 BTN3A1 (0.44) TSHRMAPTBTN3A1ALDH1A1HPGD

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
US-5723493-A PROSTAGLANDIN DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1998-03-03 US disclosed