SCHEMBL19861018

SCHEMBL19861018

CCOC(=O)C(CCCC(C)C)CCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.46
BLM P54132 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
MMP8 P22894 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PTPN1 P18031 1/20 0.36
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 2/20 0.34
CYP3A4 P08684 1/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL10258917 0.92 CPB2 (0.43) CPB2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL14163013 0.86 CPB2 (0.45) CPB2BLMCA1CA2KMT2A
SCHEMBL28107222 0.86 CPB2 (0.45) CPB2BLMCA1CA2KMT2A
SCHEMBL2981664 0.85 CPB2 (0.51) CPB2CA1CA2TP53
SCHEMBL3081469 0.83 CPB2 (0.42) CPB2BLMCA1CA2KMT2A
SCHEMBL27513220 0.83 CPB2 (0.42) CPB2BLMCA1CA2KMT2A
SCHEMBL27881617 0.83 CPB2 (0.42) CPB2BLMCA1CA2KMT2A
SCHEMBL19860979 0.82 CA1 (0.52) BLMCA1CA2SLC1A3SLC1A2
SCHEMBL21052329 0.81 CA2 (0.55) CPB2CA1CA2SLC1A3SLC1A2
SCHEMBL28356236 0.81 GABRP (0.45) CPB2SLC1A3SLC1A2SLC1A1KMT2A

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-9890231-B2 Triarylphosphine or triarylarsine compound, alpha-olefin polymerization catalyst using the compound, ternary copolymer, and production process of alpha-olefin-((meth)acrylic acid)-based copolymer JAPAN POLYETHYLENE CORPORATION (JP) 2018-02-13 US disclosed