SCHEMBL8585015

SCHEMBL8585015

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA5A P35218 1/20 0.33
CMA1 P23946 1/20 0.33
POLB P06746 1/20 0.33
MITF O75030 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
PDK2 Q15119 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
SCHEMBL8584171 0.92 KDM4E (0.34) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8579193 0.90 KDM4E (0.36) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8580855 0.88 KDM4E (0.37) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8583682 0.88 KDM4E (0.38) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8581805 0.85 CMA1 (0.43) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8582971 0.84 KDM4E (0.37) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8582606 0.84 KDM4E (0.37) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8582533 0.84 KDM4E (0.34) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8584370 0.83 KDM4E (0.35) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8583887 0.81 ALDH1A1 (0.34) KDM4EALDH1A1MAPTHPGDSMN1; SMN2

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