SCHEMBL5050253

SCHEMBL5050253

CCC(C)c1ccc(Cc2ccc(C(C)CC)cc2C(C)CC)c(C(C)CC)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TSHR P16473 3/20 0.39
SCN10A Q9Y5Y9 1/20 0.37
RORC P51449 1/20 0.37
CYP2C9 P11712 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5915945 0.85 ALDH1A1 (0.47) ALDH1A1USP2GAAPKMHPGD
SCHEMBL11685349 0.81 ALDH1A1 (0.50) ALDH1A1USP2GAAPKMHPGD
SCHEMBL1066396 0.78 ALDH1A1 (0.62) ALDH1A1USP2GAAPKMHPGD
SCHEMBL842248 0.78 GAA (0.44) ALDH1A1USP2GAAPKMHPGD
SCHEMBL487428 0.78 GAA (0.67) ALDH1A1USP2GAAPKMHPGD
SCHEMBL11868562 0.78 ALDH1A1 (0.47) ALDH1A1USP2GAAPKMHPGD
SCHEMBL7640424 0.76 ALDH1A1 (0.46) ALDH1A1USP2GAAPKMHPGD
SCHEMBL11514222 0.76 ALDH1A1 (0.59) ALDH1A1USP2GAAPKMHPGD
SCHEMBL3152462 0.74 GAA (0.62) ALDH1A1USP2GAAPKMHPGD
SCHEMBL5703484 0.74 TSHR (0.40) ALDH1A1USP2GAAPKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1947725-A2 Polymer electrolyte composition and fuel cell Sumitomo Chemical Company, Limited (JP) 2008-07-23 EP disclosed
US-20060257706-A1 POLYMER ELECTROLYTE COMPOSITION AND FUEL CELL HIDAKA YASUAKI 2006-11-16 US disclosed
EP-1289041-A2 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-05 EP disclosed