SCHEMBL13822839

SCHEMBL13822839

CCC(C)(C)c1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)C(C)(CC)CC)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MAPT P10636 1/20 0.57
POLB P06746 2/20 0.48
CYP2C9 P11712 1/20 0.48
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HTT P42858 5/20 0.42
LMNA P02545 4/20 0.42
CASP1 P29466 1/20 0.39
MAOB P27338 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL128091 0.81 NPC1 (0.81) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL14364648 0.79 NPC1 (0.54) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL12646212 0.78 NPC1 (0.53) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL10066693 0.78 NPC1 (0.53) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL17751402 0.77 HTT (0.55) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL26717832 0.76 ALDH1A1 (0.47) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL23252380 0.76 ALDH1A1 (0.56) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL21534740 0.76 NPC1 (0.50) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL23335972 0.76 NPC1 (0.50) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL10180000 0.75 ALDH1A1 (0.46) NPC1RAB9AMAPTPOLBALDH1A1

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-7550216-B2 Composite solid polymer electrolyte membranes FOSTER-MILLER, INC. (US) 2009-06-23 US disclosed