SCHEMBL10153473

SCHEMBL10153473

CCCCCCCCCCOc1cc(C)c(C)cc1/C=C/c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AHR P35869 1/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
APP P05067 1/20 0.39
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38

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
SCHEMBL862818 0.93 THRB (0.40) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL19342863 0.93 THRB (0.40) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL13410112 0.93 ALDH1A1 (0.44) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL13410111 0.91 MAPT (0.45) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL862607 0.89 AHR (0.42) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL10153553 0.88 ESR1 (0.38) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL13607213 0.87 CYP1A1 (0.43) MAPTAHRAPPTUBB4ATUBB
SCHEMBL862614 0.84 ESR1 (0.42) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL13615365 0.82 ESR1 (0.45) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL13309559 0.81 CHRNA7 (0.48) ALDH1A1MAPTAHRNFE2L2PPARA

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