SCHEMBL7200080

SCHEMBL7200080

CCCCCCCC(=O)CNCCCCCCC(=O)Oc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CA2 P00918 3/20 0.41
MGLL Q99685 4/20 0.41
PTGS2 P35354 1/20 0.39

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
SCHEMBL8934481 0.88 KMT2A (0.56) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL167097 0.88 KMT2A (0.56) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL168079 0.88 KMT2A (0.56) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL167269 0.88 KMT2A (0.56) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3210161 0.88 KMT2A (0.56) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL29048864 0.88 KMT2A (0.56) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL27917274 0.88 KMT2A (0.56) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5706182 0.86 KMT2A (0.54) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1249885 0.86 KMT2A (0.54) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL158351 0.86 KMT2A (0.54) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A

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-6583095-B1 Cleaning compounds such as sodium salts of 4-sulfophenyl-((1-oxynonyl)amino)hexanoic acid, formed by ester interchange in the presence of catalysts PROCTER & GAMBLE COMPANY 2003-06-24 US disclosed