SCHEMBL8601739

SCHEMBL8601739

CCOC(=O)C(NS(=O)(=O)C=Cc1ccccc1)Oc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
GAA P10253 3/20 0.43
PPARG P37231 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
BTN3A1 O00481 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8603717 0.83 BTN3A1 (0.39) ALDH1A1BTN3A1HPGD
SCHEMBL8603619 0.80 SLC6A2 (0.43) GAAMAPTALDH1A1KMT2AHPGD
SCHEMBL8604551 0.78 KDM4E (0.42) MAPTALDH1A1KMT2AHPGD
SCHEMBL8600127 0.78 TSHR (0.41) GAAPPARGMAPTALDH1A1MEN1
SCHEMBL8602013 0.77 KMT2A (0.41) MAPTALDH1A1KMT2AHPGD
SCHEMBL8602050 0.76 GAA (0.38) GAAPPARGMAPTALDH1A1BTN3A1
SCHEMBL8603456 0.76 LMNA (0.37) GAAMAPTALDH1A1KMT2AHPGD
SCHEMBL8601737 0.74 GAA (0.48) HTTGAAPPARGMAPTALDH1A1
SCHEMBL8601740 0.72 ALDH1A1 (0.47) HTTGAAPPARGMAPTALDH1A1
SCHEMBL8603469 0.72 GAA (0.52) HTTGAAPPARGMAPTALDH1A1

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