SCHEMBL4454321

SCHEMBL4454321

CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc3c(c21)C(CCCCCCCC)(CCCCCCCC)c1ccccc1-3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
MMP8 P22894 2/20 0.42
MMP13 P45452 2/20 0.42
PDK2 Q15119 4/20 0.41
APEX1 P27695 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MMP3 P08254 1/20 0.36
GPR3 P46089 1/20 0.36
KCNH2 Q12809 1/20 0.34
PTPN1 P18031 1/20 0.34
ELANE P08246 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL17034550 0.90 MMP2 (0.40) MMP2MMP9MMP8MMP13PDK2
SCHEMBL1395156 0.89 APEX1 (0.47) MMP2MMP9MMP8MMP13PDK2
SCHEMBL1395294 0.89 APEX1 (0.47) MMP2MMP9MMP8MMP13PDK2
SCHEMBL6060794 0.89 APEX1 (0.47) MMP2MMP9MMP8MMP13PDK2
SCHEMBL6060635 0.89 APEX1 (0.47) MMP2MMP9MMP8MMP13PDK2
SCHEMBL17034549 0.89 APEX1 (0.47) MMP2MMP9MMP8MMP13PDK2
SCHEMBL14736023 0.89 APEX1 (0.47) MMP2MMP9MMP8MMP13PDK2
SCHEMBL6060689 0.89 APEX1 (0.47) MMP2MMP9MMP8MMP13PDK2
SCHEMBL6060916 0.89 APEX1 (0.47) MMP2MMP9MMP8MMP13PDK2
SCHEMBL1681761 0.89 APEX1 (0.47) MMP2MMP9MMP8MMP13PDK2

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-8278394-B2 Indenofluorene polymer based organic semiconductor materials MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-10-02 US disclosed
US-20090149627-A1 INDENOFLUORENE POLYMER BASED ORGANIC SEMICONDUCTOR MATERIALS FLEXENABLE TECHNOLOGY LIMITED (GB) 2009-06-11 US disclosed