SCHEMBL13178779

SCHEMBL13178779

CCCCN(CCCC)[C@H](C)CC

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
DNM1 Q05193 3/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
TRPM8 Q7Z2W7 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
FDPS P14324 1/20 0.31
OPRM1 P35372 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL3312355 1.00 MMP1 (0.33) MMP1MMP2MMP3MMP8DNM1
SCHEMBL172366 1.00 MMP1 (0.33) MMP1MMP2MMP3MMP8DNM1
Hydrochloric Acid SCHEMBL22575427 0.97 DNM1 (0.35) MMP1MMP2MMP3MMP8DNM1
SCHEMBL7776790 0.97 FDPS (0.34) MMP1MMP2MMP3MMP8DNM1
SCHEMBL29291864 0.95 DNM1 (0.40) MMP1MMP2MMP3MMP8DNM1
SCHEMBL27772738 0.93 DNM1 (0.44) DNM1TSHRTRPM8CA12CA1
SCHEMBL9488380 0.93 DNM1 (0.44) DNM1TSHRTRPM8CA12CA1
SCHEMBL3314077 0.92 DNM1 (0.42) DNM1TSHRTRPM8CA12CA1
SCHEMBL25469904 0.90 DNM1 (0.40) DNM1TSHRTRPM8CA12CA1
SCHEMBL3309640 0.90 DNM1 (0.46) DNM1TSHRTRPM8CA12CA1

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-7790411-B2 Everninomicin biosynthetic genes SCHERING CORPORATION (US) 2010-09-07 US disclosed