SCHEMBL8580447

SCHEMBL8580447

CCCc1c(C(=O)OC)ccc(C(C)C)c1S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSP90AB1 P08238 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 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
SCHEMBL8581511 0.90 KDM4E (0.36) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8583682 0.89 KDM4E (0.38) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8582956 0.89 ALDH1A1 (0.34) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8579193 0.88 KDM4E (0.36) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8580422 0.87 ALDH1A1 (0.34) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8582533 0.85 KDM4E (0.34) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8578774 0.82 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8583689 0.82 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8584370 0.80 KDM4E (0.35) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8582886 0.79 CMA1 (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10

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