SCHEMBL20573333

SCHEMBL20573333

CC(=O)NCCc1c(O)cccc1C(O)=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
BLM P54132 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
PTGS1 P23219 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
F13A1 P00488 1/20 0.44
MTNR1A P48039 6/20 0.41
MTNR1B P49286 6/20 0.41
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL3083644 0.78 KDM4E (0.49) KDM4EHPGDLMNABLMALDH1A1
SCHEMBL3074222 0.77 KDM4E (0.47) KDM4EHPGDLMNABLMALDH1A1
SCHEMBL20364746 0.70 MTNR1A (0.56) KDM4EHPGDLMNABLMALDH1A1
SCHEMBL17689390 0.69 CYP1A2 (0.53) KDM4EHPGDLMNABLMALDH1A1
SCHEMBL1039416 0.69 MTNR1A (0.63) KDM4EHPGDLMNABLMALDH1A1
SCHEMBL4897761 0.68 HPGD (0.45) KDM4EHPGDLMNAALDH1A1MAPT
Salicylic Acid SCHEMBL29208027 0.67 ALDH1A1 (0.56) KDM4EHPGDLMNAALDH1A1MAPT
SCHEMBL10888536 0.67 NAAA (0.54) KDM4EHPGDLMNABLMALDH1A1
SCHEMBL7858 0.67 KDM4E (0.69) KDM4EHPGDLMNABLMALDH1A1
SCHEMBL29575320 0.66 TSHR (0.48) KDM4EHPGDLMNAALDH1A1MAPT

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
EP-2994535-B1 PRODUCTION OF MYXOPYRONIN AND OF ITS DERIVATIVES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2018-12-05 EP disclosed