SCHEMBL28070914

SCHEMBL28070914

CCCCCCC(C#Cc1ccccc1)CCC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP12 P39900 2/20 0.47
KCNH2 Q12809 3/20 0.39
CSNK1E P49674 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
APP P05067 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR2A P28223 1/20 0.35
CNR2 P34972 1/20 0.35
LIPG Q9Y5X9 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LTA4H P09960 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
SCHEMBL28243455 0.93 MMP2 (0.40) MMP2MMP9MMP12KCNH2NPSR1
SCHEMBL28242604 0.89 APP (0.44) MMP2MMP9MMP12NPSR1APP
SCHEMBL28242719 0.82 APP (0.41) MMP2MMP9MMP12NPSR1APP
SCHEMBL30669395 0.81 MMP2 (0.51) MMP2MMP9MMP12KCNH2CSNK1E
SCHEMBL9277673 0.81 MMP2 (0.51) MMP2MMP9MMP12KCNH2CSNK1E
SCHEMBL6744835 0.79 MMP2 (0.49) MMP2MMP9MMP12KCNH2CSNK1E
SCHEMBL30524148 0.77 MMP2 (0.44) MMP2MMP9MMP12KCNH2CSNK1E
SCHEMBL614604 0.75 KMT2A (0.42) MMP2MMP9MMP12NPSR1KMT2A
SCHEMBL15562662 0.75 LTA4H (0.36) MMP2MMP9MMP12CSNK1EMEN1
SCHEMBL5804621 0.75 CSNK1E (0.48) MMP2MMP9MMP12KCNH2CSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646528-A Soluble bithiophene derivative and preparation and application thereof 中国中化股份有限公司 2016-06-08 CN claimed
CN-105646528-B A kind of solubility thiophthene derivative and its preparation and application 中国中化股份有限公司 2018-09-28 CN disclosed
CN-105646528-A Soluble bithiophene derivative and preparation and application thereof 中国中化股份有限公司 2016-06-08 CN disclosed