SCHEMBL18536403

SCHEMBL18536403

O=C(CCCCC(=O)NCC1=CCCC=C1)NCC1=CCCC=C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.38
TPSAB1 Q15661 1/20 0.38
EPHX2 P34913 1/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAMPT P43490 1/20 0.34
HPGD P15428 2/20 0.34
TRPV1 Q8NER1 3/20 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
SCHEMBL19790762 0.79 NAMPT (0.33) NAMPT
SCHEMBL12906743 0.79 CYP2C9 (0.38) NAMPT
SCHEMBL23948508 0.76 CA1 (0.40) MEN1KMT2AMAPTALDH1A1TRPV1
SCHEMBL25827826 0.76 TRPV1 (0.49) MEN1KMT2AEPHX2MAPTTRPV1
SCHEMBL15220576 0.75 TGM2 (0.42) KMT2ALMNAALDH1A1NAMPT
SCHEMBL14000671 0.75 ERCC1 (0.41) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL14476563 0.73 HDAC1 (0.37) KMT2AGAALMNAMAPTALDH1A1
SCHEMBL25885492 0.70 HSD11B1 (0.44) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL25015336 0.70 NAMPT (0.31) NAMPT
SCHEMBL13494196 0.70 NR4A2 (0.31) NAMPT

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
EP-2483342-B1 COLORANT COMPATIBLE OXYGEN SCAVENGING POLYMER COMPOSITIONS AND ARTICLES MADE FROM SAME PLASTIPAK PACKAGING INC (US) 2017-02-22 EP disclosed