SCHEMBL11044286

SCHEMBL11044286

CCN(CC)CCC(=O)NCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 8/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 2/20 0.41
PAOX Q6QHF9 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
DNMT1 P26358 1/20 0.37
RAD52 P43351 1/20 0.37
SMARCA2 P51531 1/20 0.37
DNM1 Q05193 2/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
LMNA P02545 1/20 0.35
ACHE P22303 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL11681606 0.86 TSHR (0.34) TSHRALDH1A1MAPTDNM1NAAA
SCHEMBL18713492 0.84 FAAH (0.48) TERTGAAKMT2AMEN1TSHR
SCHEMBL4579500 0.83 GAA (0.50) GAAKMT2AMEN1PAOXALDH1A1
SCHEMBL21587511 0.80 FAAH (0.48) TERTGAAKMT2AMEN1TSHR
SCHEMBL13469081 0.79 GAA (0.46) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL24626058 0.79 CYP1A2 (0.46) TERTGAAKMT2AMEN1TSHR
SCHEMBL4579497 0.79 GAA (0.46) TERTGAAKMT2AMEN1TSHR
SCHEMBL8747854 0.78 CASP2 (0.55) GAAKMT2AMEN1ALDH1A1DNM1
SCHEMBL10654398 0.77 DNM1 (0.46) TERTPAOXMAPTDNM1
SCHEMBL8165555 0.77 LMNA (0.44) TERTGAAKMT2AMEN1TSHR

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
EP-0057159-B1 AZO DYESTUFFS CIBA-GEIGY AG (CH) 1985-08-21 EP disclosed
EP-0057159-A2 Azo dyestuffs CIBA-GEIGY AG (CH) 1982-08-04 EP disclosed