SCHEMBL28030704

SCHEMBL28030704

NCCCCCC(N)NCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
CPB2 Q96IY4 2/20 0.33
DNM1 Q05193 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL26126429 0.91 GSR (0.31) GSRTSHR
SCHEMBL8690794 0.85 CA12 (0.38) GSRGNAI3GNAO1GNAI1CA12
SCHEMBL15162843 0.85 GNAI3 (0.41) GSRGNAI3GNAO1GNAI1CA12
SCHEMBL9329200 0.85 GNAI3 (0.41) GSRGNAI3GNAO1GNAI1CA12
SCHEMBL23248629 0.85 GNAI3 (0.41) GSRGNAI3GNAO1GNAI1CA12
SCHEMBL23291093 0.85 GNAI3 (0.41) GSRGNAI3GNAO1GNAI1CA12
SCHEMBL21173981 0.85 GNAI3 (0.41) GSRGNAI3GNAO1GNAI1CA12
SCHEMBL21360126 0.85 GNAI3 (0.41) GSRGNAI3GNAO1GNAI1CA12
SCHEMBL21295453 0.85 GNAI3 (0.41) GSRGNAI3GNAO1GNAI1CA12
SCHEMBL4456371 0.85 GNAI3 (0.41) GSRGNAI3GNAO1GNAI1CA12

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-105037689-A Halogen-free intrinsic flame retardant epoxy resin and preparing method thereof UNIV SICHUAN 2015-11-11 CN disclosed