SCHEMBL10013255

SCHEMBL10013255

CCCOc1cc(OCCC)c2cc1C(C)c1cc(c(OCCCS(=O)(=O)O)cc1OCCC)C(C)c1cc(c(OCCCS(=O)(=O)O)cc1OCCCS(=O)(=O)O)C(C)c1cc(c(OCCC)cc1OCCCS(=O)(=O)O)C2C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 2/20 0.35
SCN9A Q15858 1/20 0.35
S1PR3 Q99500 1/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FABP4 P15090 1/20 0.32
SLC2A1 P11166 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MRGPRX1 Q96LB2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL10041307 0.94 SLC10A2 (0.33) SLC10A2SCN9AS1PR3KDM4EALDH1A1
SCHEMBL12120855 0.80
SCHEMBL14560509 0.76 PLA2G2A (0.49) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL19578975 0.75 ELANE (0.37) S1PR3KMT2AKDM4EMEN1ALDH1A1
SCHEMBL12781078 0.73 CA12 (0.56) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL16491074 0.72 PLA2G2A (0.43) S1PR3KMT2AKDM4EMEN1ALDH1A1
SCHEMBL18893061 0.71 ALDH1A1 (0.39) S1PR3KMT2AKDM4EMEN1ALDH1A1
SCHEMBL2022996 0.71 APP (0.35) S1PR3KDM4EALDH1A1POLBRAB9A
SCHEMBL12781083 0.70 ALDH1A1 (0.50) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL22660915 0.70 ALDH1A1 (0.46) KMT2AKDM4EMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653297-B2 Solid acid, polymer electrolyte membrane including the same, and fuel cell using the polymer electrolyte membrane SAMSUNG SDI CO., LTD. (KR) 2014-02-18 US disclosed
US-20120045711-A1 SOLID ACID, POLYMER ELECTROLYTE MEMBRANE INCLUDING THE SAME, AND FUEL CELL USING THE POLYMER ELECTROLYTE MEMBRANE SAMSUNG SDI CO., LTD (KR) 2012-02-23 US disclosed