SCHEMBL868533

SCHEMBL868533

NCCNCCNCCNCCNC(=O)CCCCCCCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
THRB P10828 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
PLG P00747 1/20 0.52
ALOX15 P16050 1/20 0.52
SLC6A2 P23975 1/20 0.52
RECQL P46063 1/20 0.52
SLC6A3 Q01959 1/20 0.52
NFKB1 P19838 2/20 0.48
CYP2D6 P10635 1/20 0.48
EPHX2 P34913 3/20 0.47
PRMT1 Q99873 1/20 0.47
BLM P54132 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 2/20 0.45
GABRR3 A8MPY1 1/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45

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
SCHEMBL19218124 0.90 LMNA (0.58) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL9999327 0.90 KDM4E (0.46) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL490860 0.90 KDM4E (0.46) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL867731 0.90 LMNA (0.58) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL14445318 0.86 SLC6A5 (0.54) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL8766627 0.86 LMNA (0.60) LMNANFKB1EPHX2PRMT1TSHR
SCHEMBL603005 0.86 LMNA (0.60) LMNANFKB1EPHX2PRMT1TSHR
Azelaic Acid SCHEMBL11874402 0.86 LMNA (0.68) LMNATHRBKMT2AMEN1ALDH1A1
Octanedioate SCHEMBL11875738 0.86 LMNA (0.68) LMNATHRBKMT2AMEN1ALDH1A1
Adipic Acid SCHEMBL11873219 0.86 NFKB1 (0.64) LMNATHRBKMT2AMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329854-B2 Synthesis of tri-component resins XEROX CORPORATION (US) 2012-12-11 US disclosed
US-20120077953-A1 SYNTHESIS OF TRI-COMPONENT RESINS XEROX CORPORATION (US) 2012-03-29 US disclosed