SCHEMBL1040922

SCHEMBL1040922

CCCCC(CC)Cc1cc(Br)c(Br)cc1CC(CC)CCCC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 6/20 0.41
TSHR P16473 5/20 0.41
CA2 P00918 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.33
LMNA P02545 2/20 0.32
BDKRB2 P30411 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL15738357 0.92 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL15738911 0.84 ALOX15 (0.38) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL8764403 0.83 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL15315866 0.80 ALDH1A1 (0.38) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL1776251 0.78 BDKRB2 (0.41) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL22075926 0.78 ALDH1A1 (0.36) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL1261390 0.77 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL15921076 0.77 LMNA (0.42) CA2LMNABDKRB2
SCHEMBL31228987 0.77 ALDH1A1 (0.38) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL1037714 0.76 ALDH1A1 (0.35) ALDH1A1TDP1CYP3A4TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440785-B2 Compositions, methods and polymers PLEXTRONICS, INC. (US) 2013-05-14 US disclosed
US-8440785-B2 Compositions, methods and polymers PLEXTRONICS, INC. (US) 2013-05-14 US disclosed
US-8440785-B2 Compositions, methods and polymers PLEXTRONICS, INC. (US) 2013-05-14 US disclosed
EP-2449561-A2 POLYMERS COMPRISING AT LEAST ONE BITHIOPHENE REPEAT UNIT, METHODS SYNTHETISING SAID POLYMERS AND COMPOSITIONS COMPRISING THE SAME Plextronics, Inc. (US) 2012-05-09 EP disclosed
US-20110028644-A1 NOVEL COMPOSITIONS, METHODS AND POLYMERS PLEXTRONICS, INC. 2011-02-03 US disclosed
US-20110028644-A1 NOVEL COMPOSITIONS, METHODS AND POLYMERS PLEXTRONICS, INC. 2011-02-03 US disclosed
US-20110028644-A1 NOVEL COMPOSITIONS, METHODS AND POLYMERS PLEXTRONICS, INC. 2011-02-03 US disclosed
WO-2011002927-A2 NOVEL COMPOSITIONS, METHODS AND POLYMERS PLEXTRONICS, INC. (US) 2011-01-06 WO disclosed
WO-2011002927-A2 NOVEL COMPOSITIONS, METHODS AND POLYMERS PLEXTRONICS, INC. (US) 2011-01-06 WO disclosed