SCHEMBL8601740

SCHEMBL8601740

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 1/20 0.41
HTT P42858 2/20 0.41
GAA P10253 4/20 0.39
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
PGR P06401 1/20 0.37
PTGS1 P23219 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 2/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL8603481 0.93 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10MAPTHTT
SCHEMBL8604539 0.93 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10MAPTHTT
SCHEMBL8604561 0.92 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10HTTPPARG
SCHEMBL8602030 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10MAPTHTT
SCHEMBL8603718 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10MAPTGAA
SCHEMBL8602993 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EHTTGAAKMT2A
SCHEMBL8600131 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10MAPTHTT
SCHEMBL8603621 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10MAPTGAA
SCHEMBL8603482 0.79 ALDH1A1 (0.36) ALDH1A1HTTGAAPPARGMAPK1
SCHEMBL8604553 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10MAPTGAA

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