SCHEMBL10153455

SCHEMBL10153455

CCCCCCCCCCOc1cc(C)ccc1/C=C/c1ccc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
THRB P10828 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 3/20 0.40
ESR1 P03372 2/20 0.39
TLR8 Q9NR97 2/20 0.39
L3MBTL4 Q8NA19 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
THRA P10827 1/20 0.37
PLK1 P53350 1/20 0.37
TP53 P04637 1/20 0.36
TTR P02766 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C8 P10632 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL862516 0.94 MAPT (0.50) MAPTTHRBALDH1A1GAANPSR1
SCHEMBL13036898 0.87 MAPT (0.47) MAPTTHRBALDH1A1GAANPSR1
SCHEMBL10153452 0.83 MAPT (0.42) MAPTALDH1A1GAATSHRL3MBTL1
SCHEMBL822786 0.79 TSHR (0.60) MAPTTHRBALDH1A1GAANPSR1
SCHEMBL6738557 0.79 TSHR (0.60) MAPTTHRBALDH1A1GAANPSR1
SCHEMBL14382370 0.79 ESR1 (0.56) MAPTTHRBALDH1A1GAANPSR1
SCHEMBL2713160 0.79 ESR1 (0.56) MAPTTHRBALDH1A1GAANPSR1
SCHEMBL14015788 0.79 ESR1 (0.56) MAPTTHRBALDH1A1GAANPSR1
SCHEMBL4102060 0.79 TSHR (0.60) MAPTTHRBALDH1A1GAANPSR1
SCHEMBL17484853 0.79 ESR1 (0.56) MAPTTHRBALDH1A1GAANPSR1

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-20120008068-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed