SCHEMBL8600131

SCHEMBL8600131

CCNC(CCS(=O)(=O)C=Cc1ccccc1)(Oc1cccc2ccccc12)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
BACE1 P56817 1/20 0.35
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PGR P06401 1/20 0.34
GAA P10253 1/20 0.34
PTGS1 P23219 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
EGFR P00533 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 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
SCHEMBL8602052 0.91 KDM4E (0.41) ALDH1A1KDM4EHSD17B10MAPTCA12
SCHEMBL8601740 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10MAPTCA12
SCHEMBL8603481 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10MAPTCA12
SCHEMBL8604539 0.74 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL8604561 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10BACE1KMT2A
SCHEMBL8602030 0.72 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10MAPTGAA
SCHEMBL8603459 0.70 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL8604553 0.68 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL8603718 0.68 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL8600124 0.67 MAPT (0.39) ALDH1A1KDM4EMAPTHPGDTDP1

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