SCHEMBL8775200

SCHEMBL8775200

NCCNCCCCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.61
CYP2D6 P10635 1/20 0.61
LMNA P02545 4/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
RECQL P46063 3/20 0.58
ALOX15 P16050 3/20 0.58
BLM P54132 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
THRB P10828 2/20 0.58
ALDH1A1 P00352 1/20 0.58
PLG P00747 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
TSHR P16473 3/20 0.56
CYP1A2 P05177 3/20 0.56
HDAC6 Q9UBN7 2/20 0.56
GABRR3 A8MPY1 1/20 0.56
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56

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
SCHEMBL10438242 0.98 LMNA (0.62) NFKB1CYP2D6LMNAKMT2AMEN1
SCHEMBL3229942 0.98 LMNA (0.62) NFKB1CYP2D6LMNAKMT2AMEN1
SCHEMBL27475202 0.98 NFKB1 (0.58) NFKB1CYP2D6LMNAKMT2AMEN1
Sebacic Acid SCHEMBL1990696 0.98 LMNA (0.62) NFKB1CYP2D6LMNAKMT2AMEN1
SCHEMBL11219529 0.96 LMNA (0.60) NFKB1CYP2D6LMNAKMT2AMEN1
SCHEMBL5918569 0.96 LMNA (0.60) NFKB1CYP2D6LMNAKMT2AMEN1
SCHEMBL18237029 0.96 LMNA (0.60) NFKB1CYP2D6LMNAKMT2AMEN1
SCHEMBL17637 0.96 LMNA (0.60) NFKB1CYP2D6LMNAKMT2AMEN1
Adipic Acid SCHEMBL7530463 0.95 NFKB1 (0.67) NFKB1CYP2D6LMNAKMT2AMEN1
Adipic Acid SCHEMBL394243 0.95 NFKB1 (0.67) NFKB1CYP2D6LMNAKMT2AMEN1

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
CN-114409864-A Aqueous polyurethane or polyurethane-urea dispersions, method for the production thereof and use thereof 万华化学集团股份有限公司 2022-04-29 CN disclosed
EP-0804481-A1 SOMATOSTATIN DERIVATIVES AND THEIR RADIOLABELLED PRODUCTS Diatide, Inc. (US) 1997-11-05 EP disclosed