SCHEMBL8891063

SCHEMBL8891063

CCOc1ccc(CC(=O)NC(C)c2ccco2)cc1S(=O)(=O)NC(=O)NC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 6/20 0.39
MAPT P10636 3/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
ACACB O00763 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
SCHEMBL8892224 0.93 NPSR1 (0.45) LMNASMN1; SMN2HSD17B10HPGDKDM4E
SCHEMBL8891687 0.91 LMNA (0.43) LMNASMN1; SMN2HSD17B10HPGDKDM4E
SCHEMBL8898777 0.91 ALDH1A1 (0.41) LMNAHSD17B10HPGDKDM4ENPSR1
SCHEMBL8891041 0.90 LMNA (0.42) LMNASMN1; SMN2HSD17B10HPGDKDM4E
SCHEMBL8891913 0.86 KDM4E (0.43) HPGDKDM4EALDH1A1MAPTKMT2A
SCHEMBL8891432 0.85 ALDH1A1 (0.37) LMNASMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL8894254 0.84 NPSR1 (0.44) LMNASMN1; SMN2HSD17B10HPGDKDM4E
SCHEMBL8893666 0.83 KDM4E (0.35) SMN1; SMN2HSD17B10HPGDKDM4EALDH1A1
SCHEMBL8892030 0.83 NPSR1 (0.44) LMNASMN1; SMN2HSD17B10HPGDKDM4E
SCHEMBL8893342 0.83 ALDH1A1 (0.35) LMNASMN1; SMN2HPGDKDM4ENPSR1

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-5607976-A ANNTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed