SCHEMBL5880703

SCHEMBL5880703

C=Cc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 1/20 0.52
ACHE P22303 2/20 0.39
TP53 P04637 1/20 0.38
CA1 P00915 1/20 0.38
MGLL Q99685 1/20 0.38
HDAC2 Q92769 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
POLB P06746 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS2 P35354 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
SCHEMBL6563914 0.98 ALDH1A1 (0.54) ALDH1A1TSHRACHETP53CA1
SCHEMBL5880709 0.96 ALDH1A1 (0.52) ALDH1A1TSHRACHETP53CA1
SCHEMBL4956947 0.94 ALDH1A1 (0.52) ALDH1A1TSHRACHETP53HDAC2
SCHEMBL5195131 0.90 ALDH1A1 (0.50) ALDH1A1TSHRACHETP53CA1
SCHEMBL5880675 0.87 ALDH1A1 (0.43) ALDH1A1TSHRACHEHDAC2POLB
SCHEMBL14877347 0.87 ALDH1A1 (0.62) ALDH1A1TSHRTP53CA1MGLL
SCHEMBL447854 0.87 ALDH1A1 (0.68) ALDH1A1TSHRTP53CA1MGLL
SCHEMBL15056 0.87 ALDH1A1 (0.68) ALDH1A1TSHRTP53CA1MGLL
SCHEMBL2997715 0.87 ALDH1A1 (0.68) ALDH1A1TSHRTP53CA1MGLL
SCHEMBL8758080 0.87 ALDH1A1 (0.68) ALDH1A1TSHRTP53CA1MGLL

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-7049011-B2 Organic electroluminescent device TDK CORPORATION (JP) 2006-05-23 US disclosed
US-20040048100-A1 Organic electroluminescent device TDK CORPORATION (JP) 2004-03-11 US disclosed