SCHEMBL8580855

SCHEMBL8580855

CCc1c(C(=O)OC)ccc(C(C)CC)c1S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CMA1 P23946 1/20 0.33
PPARA Q07869 1/20 0.33
STAT3 P40763 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL8584370 0.90 KDM4E (0.35) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8581511 0.90 KDM4E (0.36) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8583682 0.89 KDM4E (0.38) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8585015 0.88 KDM4E (0.37) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8583887 0.88 ALDH1A1 (0.34) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8581792 0.85 CMA1 (0.42) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8580346 0.84 KDM4E (0.37) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8584161 0.84 KDM4E (0.37) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8582476 0.84 KDM4E (0.37) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8584171 0.84 KDM4E (0.34) KDM4EALDH1A1LMNAMAPTHPGD

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-5840761-A Alkylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-11-24 US disclosed