SCHEMBL13475558

SCHEMBL13475558

Cc1cc(OCC(C)C)c(C)cc1OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
TLR8 Q9NR97 1/20 0.41
KDM1A O60341 1/20 0.38
PLA2G7 Q13093 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HIF1A Q16665 1/20 0.36
ACHE P22303 1/20 0.36
ALOX15 P16050 1/20 0.35
SCN4A P35499 1/20 0.35

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
SCHEMBL25328765 0.88 ALDH1A1 (0.41) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL19121898 0.88 ALDH1A1 (0.41) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL19121673 0.83 ALDH1A1 (0.41) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL20804855 0.83 ALDH1A1 (0.41) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL3032643 0.81 ALDH1A1 (0.54) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL22114347 0.81 ALDH1A1 (0.42) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL13475539 0.81 TSHR (0.50) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL12767969 0.78 ALDH1A1 (0.47) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL25329407 0.78 ALDH1A1 (0.40) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL12455378 0.78 MRGPRX4 (0.48) ALDH1A1GAA

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
US-20100033086-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20100033086-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-11 US disclosed
EP-2123691-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-11-25 EP disclosed