SCHEMBL8580764

SCHEMBL8580764

CCCc1ccc(C(=O)OC)c(C)c1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 2/20 0.38
KDR P35968 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
LMNA P02545 2/20 0.36
PTGER4 P35408 1/20 0.36
KMT2A Q03164 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
METAP2 P50579 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35

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
SCHEMBL8581795 0.92 CMA1 (0.40) CMA1KDM4EALDH1A1MAPTHPGD
SCHEMBL8581811 0.91 CMA1 (0.39) CMA1KDM4EALDH1A1MAPTHPGD
SCHEMBL8582511 0.90 CMA1 (0.43) CMA1KDM4EALDH1A1MAPTHPGD
SCHEMBL8581034 0.89 PPARA (0.40) CMA1KDM4EALDH1A1MAPTHPGD
SCHEMBL8582004 0.84 ALDH1A1 (0.38) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8582770 0.84 ALDH1A1 (0.38) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8581986 0.84 ALDH1A1 (0.38) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8585508 0.81 KDM4E (0.38) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8578774 0.80 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8581514 0.80 ALDH1A1 (0.36) 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