SCHEMBL8604553

SCHEMBL8604553

CCC(NS(=O)(=O)CCc1ccccc1)(Oc1cccc2ccccc12)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MCL1 Q07820 1/20 0.39
GLO1 Q04760 1/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MMP1 P03956 1/20 0.38
MMP7 P09237 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
GAA P10253 2/20 0.37
PGR P06401 1/20 0.37
PTGS1 P23219 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL8599331 0.85 NPC1 (0.44) ALDH1A1KDM4EHSD17B10MCL1KMT2A
SCHEMBL8603621 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10KMT2AHPGD
SCHEMBL8602015 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10KMT2AHPGD
SCHEMBL8603718 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10KMT2AHPGD
SCHEMBL8601740 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10KMT2AHPGD
SCHEMBL8603481 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10MCL1MAPT
SCHEMBL8604561 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10KMT2AMMP1
SCHEMBL8604539 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10KMT2AHPGD
SCHEMBL8603459 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10KMT2AHPGD
SCHEMBL8604551 0.71 KDM4E (0.42) ALDH1A1KDM4EMCL1KMT2AHPGD

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