SCHEMBL13028052

SCHEMBL13028052

CCC1(CCc2ccc(N(c3ccc(-c4ccc(N(c5ccc(CCC6(CC)COC6)cc5)c5ccc6ccccc6c5)cc4)cc3)c3ccc4ccccc4c3)cc2)COC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.36
SIGMAR1 Q99720 1/20 0.35
BCHE P06276 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
PTGES O14684 2/20 0.33
INSR P06213 1/20 0.33
IGF1R P08069 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 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
SCHEMBL13028068 0.87 FAAH (0.34) CYP1A2HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL13028035 0.84 ALOX5 (0.39) ALOX5SIGMAR1CYP1A2CYP2A6PTGES
SCHEMBL13028038 0.83 ALOX5 (0.34) ALOX5SIGMAR1CYP1A2CYP2A6PTGES
SCHEMBL13028053 0.82
SCHEMBL13028048 0.81 ALOX5 (0.38) ALOX5PTGESSLC6A2SLC6A4SLC6A3
SCHEMBL13028039 0.80 ALOX5 (0.40) ALOX5BCHECYP1A2CYP2A6CHRNB2
SCHEMBL20652128 0.78 OPRM1 (0.38) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL13028028 0.76 MMP12 (0.32) CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL24512164 0.76 CHRNB2 (0.39) BCHEHRH3CHRNB2CHRNB4CHRNA3
SCHEMBL29227998 0.76 KCNH2 (0.37) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8525156-B2 Organic thin film transistor having an amorphous channel control layer with specified inozation potential IDEMITSU KOSAN CO., LTD. (JP) 2013-09-03 US disclosed
US-8525156-B2 Organic thin film transistor having an amorphous channel control layer with specified inozation potential IDEMITSU KOSAN CO., LTD. (JP) 2013-09-03 US disclosed
US-20100283041-A1 ORGANIC THIN FILM TRANSISTOR IDEMITSU KOSAN CO., LTD. (JP) 2010-11-11 US disclosed
US-20100283041-A1 ORGANIC THIN FILM TRANSISTOR IDEMITSU KOSAN CO., LTD. (JP) 2010-11-11 US disclosed
EP-2194582-A1 ORGANIC THIN FILM TRANSISTOR Idemitsu Kosan Co., Ltd. (JP) 2010-06-09 EP disclosed