SCHEMBL8354876

SCHEMBL8354876

C=C(C)c1cc(S(C)(=O)=O)cc(C(=O)OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.39
CDK1 P06493 1/20 0.38
CA2 P00918 2/20 0.37
USP2 O75604 1/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 1/20 0.35
LMNA P02545 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8352059 0.83 MAPT (0.37) KDM4EALDH1A1HSD17B10SMN1; SMN2POLB
SCHEMBL8355025 0.83 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10SMN1; SMN2CDK1
SCHEMBL8354895 0.80 CA2 (0.41) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL7824006 0.74 KMT2A (0.44) KDM4EALDH1A1HPGDNPSR1POLB
SCHEMBL8358621 0.73 CA2 (0.39) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3215571 0.72 KDM4E (0.38) KDM4EALDH1A1HSD17B10SMN1; SMN2POLB
SCHEMBL7414215 0.70 KDM4E (0.45) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3220624 0.70 SMN1; SMN2 (0.57) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL21184279 0.70 LMNA (0.46) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL8356473 0.69 MAPT (0.38) KDM4EALDH1A1HSD17B10SMN1; SMN2CA2

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-6001881-A Ortho-substituted benzoylguanidines, a process for their preparation, their use as a medicament or diagnostic agent, and a medicament comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed