SCHEMBL8583303

SCHEMBL8583303

CCCC(C)c1ccc(C(=O)OC)c(C)c1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.41
FFAR4 Q5NUL3 1/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.34
PTGER4 P35408 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL8581031 0.93 CMA1 (0.39) CMA1FFAR4KDM4EALDH1A1MAPT
SCHEMBL8581792 0.90 CMA1 (0.42) CMA1FFAR4KDM4EALDH1A1MAPT
SCHEMBL8583192 0.86 CMA1 (0.40) CMA1FFAR4KDM4EALDH1A1MAPT
SCHEMBL8584370 0.86 KDM4E (0.35) CMA1KDM4EALDH1A1MAPTHPGD
SCHEMBL8583897 0.86 KDM4E (0.36) CMA1KDM4EALDH1A1MAPTHPGD
SCHEMBL8585519 0.86 KDM4E (0.35) CMA1KDM4EALDH1A1MAPTHPGD
SCHEMBL8582956 0.85 ALDH1A1 (0.34) CMA1KDM4EALDH1A1MAPTHPGD
SCHEMBL8580948 0.84 KDM4E (0.34) CMA1KDM4EALDH1A1MAPTHPGD
SCHEMBL8582886 0.84 CMA1 (0.42) CMA1FFAR4KDM4EALDH1A1MAPT
SCHEMBL8583990 0.83 KDM4E (0.35) CMA1KDM4EALDH1A1MAPTHPGD

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