SCHEMBL3675581

SCHEMBL3675581

CC1(C)CC(NCCCCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCCCNC1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.48
GNAI3 P08754 2/20 0.47
GNAO1 P09471 2/20 0.47
GNAI1 P63096 2/20 0.47
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
S1PR4 O95977 2/20 0.41
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
GBA1 P04062 6/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RECQL P46063 1/20 0.37
S1PR5 Q9H228 1/20 0.36
POLB P06746 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
SCHEMBL892676 0.96 GNAI3 (0.51) SLC2A1GNAI3GNAO1GNAI1KDM4E
SCHEMBL10633005 0.96 GNAI3 (0.51) SLC2A1GNAI3GNAO1GNAI1KDM4E
SCHEMBL17409734 0.96 GNAI3 (0.51) SLC2A1GNAI3GNAO1GNAI1KDM4E
SCHEMBL990185 0.96 GNAI3 (0.51) SLC2A1GNAI3GNAO1GNAI1KDM4E
SCHEMBL11026100 0.96 GNAI3 (0.51) SLC2A1GNAI3GNAO1GNAI1KDM4E
SCHEMBL3140456 0.96 GNAI3 (0.51) SLC2A1GNAI3GNAO1GNAI1KDM4E
SCHEMBL11212575 0.96 GNAI3 (0.51) SLC2A1GNAI3GNAO1GNAI1KDM4E
SCHEMBL39399 0.96 SLC2A1 (0.44) SLC2A1GNAI3GNAO1GNAI1KDM4E
Ammonia Solution, Strong SCHEMBL7733882 0.95 GNAI3 (0.50) SLC2A1GNAI3GNAO1GNAI1KDM4E
SCHEMBL5250714 0.94 GNAI3 (0.49) SLC2A1GNAI3GNAO1GNAI1KDM4E

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-7858675-B2 Composition with polymer and an oxidation-catalyst DSM IP ASSETS B.V. (NL) 2010-12-28 US disclosed