SCHEMBL9101904

SCHEMBL9101904

CCCCCCCCCCC1(CCCCCCCCCC)c2cc(C=O)ccc2-c2ccc(C=O)cc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.36
MMP9 P14780 5/20 0.36
MMP8 P22894 4/20 0.36
MMP13 P45452 4/20 0.36
ALDH1A3 P47895 4/20 0.35
ALDH3A1 P30838 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
APP P05067 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
MMP3 P08254 1/20 0.31
PLA2G4A P47712 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
FDPS P14324 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
SCHEMBL851336 1.00 MMP2 (0.36) MMP2MMP9MMP8MMP13ALDH1A3
SCHEMBL18894239 1.00 MMP2 (0.36) MMP2MMP9MMP8MMP13ALDH1A3
SCHEMBL30435044 1.00 MMP2 (0.36) MMP2MMP9MMP8MMP13ALDH1A3
SCHEMBL6658545 1.00 MMP2 (0.36) MMP2MMP9MMP8MMP13ALDH1A3
SCHEMBL26109311 0.97 MMP2 (0.35) MMP2MMP9MMP8MMP13ALDH1A3
SCHEMBL28058189 0.94 ALDH1A1 (0.36) ALDH1A3ALDH3A1ALDH1A1TSHRFDPS
SCHEMBL14750205 0.93 MMP2 (0.38) MMP2MMP9MMP8MMP13CNR1
SCHEMBL1356093 0.93 MMP2 (0.38) MMP2MMP9MMP8MMP13CNR1
SCHEMBL2601875 0.93 MMP2 (0.38) MMP2MMP9MMP8MMP13CNR1
SCHEMBL14750260 0.93 MMP2 (0.38) MMP2MMP9MMP8MMP13CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8192590-B1 Microwave-assisted formation of sulfonium photoacid generators UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-05 US disclosed