SCHEMBL28136332

SCHEMBL28136332

CCCCCN(C(C)(C)C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.46
TSHR P16473 2/20 0.39
THRB P10828 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GGPS1 O95749 4/20 0.33
GBA1 P04062 1/20 0.33
LMNA P02545 1/20 0.33
FDPS P14324 1/20 0.32
AGTR1 P30556 1/20 0.32
OPRM1 P35372 1/20 0.32
PDE3A Q14432 1/20 0.32
MGLL Q99685 1/20 0.32
SLC22A1 O15245 2/20 0.32
SLC22A2 O15244 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL12084052 0.91 TSHR (0.35) DNM1TSHRTHRBCA12CA1
SCHEMBL10697643 0.78 DNM1 (0.42) DNM1TSHRTHRBCA12CA1
SCHEMBL8855250 0.78 CA1 (0.32) CA12CA1CA2CA9
SCHEMBL13152919 0.77 DNM1 (0.46) DNM1TSHRTHRBCA12CA1
SCHEMBL4799222 0.76 DNM1 (0.46) DNM1TSHRTHRBCA12CA1
SCHEMBL438679 0.76 DNM1 (0.46) DNM1TSHRTHRBCA12CA1
SCHEMBL7760007 0.76 DNM1 (0.46) DNM1TSHRTHRBCA12CA1
SCHEMBL439341 0.76 DNM1 (0.46) DNM1TSHRTHRBCA12CA1
SCHEMBL3538819 0.76 DNM1 (0.46) DNM1TSHRTHRBCA12CA1
SCHEMBL3534539 0.76 DNM1 (0.46) DNM1TSHRTHRBCA12CA1

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
CN-105377902-B Improved energy utilization in polymerisation in solution facility 诺瓦化学品(国际)股份有限公司 2017-03-08 CN disclosed