SCHEMBL13028002

SCHEMBL13028002

CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c5ccc(-c6cccc(-c7ccccc7)c6)cc5)cc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c5ccc(-c6cccc(-c7ccccc7)c6)cc5)cc4)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.38
MMP9 P14780 4/20 0.38
MGLL Q99685 2/20 0.37
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
PTGES O14684 2/20 0.34
ALOX5 P09917 2/20 0.34
ICMT O60725 4/20 0.32
PDK2 Q15119 1/20 0.32
TRIM58 Q8NG06 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
SCHEMBL19975625 0.96 MMP2 (0.40) MMP2MMP9MGLLMMP8MMP13
SCHEMBL13027966 0.96 MMP2 (0.40) MMP2MMP9MGLLMMP8MMP13
SCHEMBL25866822 0.95 MMP2 (0.36) MMP2MMP9MGLLMMP8MMP13
SCHEMBL13027988 0.95 MMP2 (0.39) MMP2MMP9MGLLMMP8MMP13
SCHEMBL25866849 0.94 PDK2 (0.34) MMP2MMP9MGLLMMP8MMP13
SCHEMBL30429272 0.94 MMP2 (0.39) MMP2MMP9MGLLMMP8MMP13
SCHEMBL15583747 0.94 MMP2 (0.39) MMP2MMP9MGLLMMP8MMP13
SCHEMBL12853241 0.94 MMP2 (0.40) MMP2MMP9MGLLMMP8MMP13
SCHEMBL11942814 0.94 MMP2 (0.40) MMP2MMP9MGLLMMP8MMP13
SCHEMBL13027997 0.93 MMP2 (0.38) MMP2MMP9MGLLMMP8MMP13

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-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