SCHEMBL6326850

SCHEMBL6326850

CCCCCCCCCCCCCC(=O)Oc1ccc(S(=O)(=O)O)cc1.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA2 P00918 3/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
PTGS2 P35354 1/20 0.46
S1PR3 Q99500 1/20 0.45
STS P08842 4/20 0.45

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
SCHEMBL3063109 1.00 KMT2A (0.54) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL1249885 1.00 KMT2A (0.54) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL7183432 1.00 KMT2A (0.54) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL9780313 1.00 KMT2A (0.54) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL158351 1.00 KMT2A (0.54) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL5706182 1.00 KMT2A (0.54) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL167097 0.98 KMT2A (0.56) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL7191368 0.98 KMT2A (0.52) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL167269 0.98 KMT2A (0.56) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL3210161 0.98 KMT2A (0.56) KMT2ASMN1; SMN2CA2NPC1RAB9A

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-20050159327-A1 Organic catalyst system THE PROCTER & GAMBLE COMPANY 2005-07-21 US disclosed