SCHEMBL10013593

SCHEMBL10013593

CCC(C)c1ccc(OCc2cc(OCc3ccc(S(=O)(=O)O)cc3)cc(OCc3ccc(S(=O)(=O)O)cc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HSP90AA1 P07900 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
FFAR1 O14842 1/20 0.42
ADAMTS4 O75173 5/20 0.41
PTPRZ1 P23471 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MMP13 P45452 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL14119481 0.94 NPC1 (0.54) NPC1RAB9AHSP90AA1L3MBTL1ALDH1A1
SCHEMBL10204822 0.94 NPC1 (0.54) NPC1RAB9AHSP90AA1L3MBTL1ALDH1A1
SCHEMBL14998869 0.86 NPC1 (0.44) NPC1RAB9AHSP90AA1L3MBTL1ALDH1A1
SCHEMBL16247780 0.86 ADAMTS4 (0.48) NPC1RAB9AHSP90AA1L3MBTL1ALDH1A1
SCHEMBL10015821 0.86 PTPRZ1 (0.46) ALDH1A1RXRARXRBFFAR1PTPRZ1
SCHEMBL16591145 0.83 NPC1 (0.46) NPC1RAB9AHSP90AA1L3MBTL1ALDH1A1
SCHEMBL16591056 0.82 MEN1 (0.47) NPC1RAB9AHSP90AA1L3MBTL1ALDH1A1
SCHEMBL14464083 0.82 ALDH1A1 (0.55) NPC1RAB9AHSP90AA1L3MBTL1ALDH1A1
SCHEMBL15496502 0.82 RXRA (0.62) NPC1RAB9AL3MBTL1ALDH1A1RXRA
SCHEMBL9999620 0.81 CA12 (0.51) NPC1RAB9AALDH1A1FFAR1ADAMTS4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124294-B2 Polymer electrolyte membrane comprising inorganic nanoparticle bonded with proton-conducting group and solid acid, fuel cell including the same, and method of preparing the polymer electrolyte membrane SAMSUNG SDI CO., LTD. (KR) 2012-02-28 US disclosed
US-RE42299-E1 Polymer comprising terminal sulfonic acid group, and polymer electrolyte and fuel cell using the same SAMSUNG SDI CO., LTD. (KR) 2011-04-19 US disclosed
US-7547748-B2 Polymer comprising terminal sulfonic acid group, and polymer electrolyte and fuel cell using the same SAMSUNG SDI CO., LTD. (KR) 2009-06-16 US disclosed
US-20080199757-A1 POLYMER COMPRISING TERMINAL SULFONIC ACID GROUP, AND POLYMER ELECTROLYTE AND FUEL CELL USING THE SAME SAMSUNG SDI CO., LTD. (KR) 2008-08-21 US disclosed
US-7378471-B2 polyelectrolyte having high ionic conductivity and good structural stability, does not decompose even under low humidity conditions and is inexpensive to produce; side chain modifier is the di(benzyl p-sulfonic acid) ether of 3,5-dihydroxybenzyl bromide; polyhydroxystyrene, polyimides, polyamides SAMSUNG SDI CO., LTD. (KR) 2008-05-27 US disclosed
US-20080085441-A1 POLYMER ELECTROLYTE MEMBRANE COMPRISING INORGANIC NANOPARTICLE BONDED WITH PROTON-CONDUCTING GROUP AND SOLID ACID, FUEL CELL INCLUDING THE SAME, AND METHOD OF PREPARING THE POLYMER ELECTROLYTE MEMBRANE SAMSUNG SDI CO., LTD. (KR) 2008-04-10 US disclosed
US-20070092778-A1 Oligomer solid acid and polymer electrolyte membrane including the same SAMSUNG SDI CO., LTD. (KR) 2007-04-26 US disclosed