SCHEMBL8159205

SCHEMBL8159205

CCC(C)CCC(CC)Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
HSD17B10 Q99714 5/20 0.53
ALOX12 P18054 5/20 0.53
ALOX15 P16050 4/20 0.53
TSHR P16473 4/20 0.53
CYP3A4 P08684 4/20 0.53
TDP1 Q9NUW8 4/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
THRB P10828 2/20 0.53
LMNA P02545 2/20 0.53
RECQL P46063 1/20 0.53
ATM Q13315 1/20 0.53
MAPK1 P28482 3/20 0.50
HIF1A Q16665 2/20 0.50
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
PTGS2 P35354 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL29399802 0.88 TDP1 (0.50) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL9468187 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL9467388 0.85 ALDH1A1 (0.60) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL9468154 0.85 ALDH1A1 (0.56) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL1849752 0.85 ALDH1A1 (0.53) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL809501 0.84 ALDH1A1 (0.61) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL28731555 0.80 TDP1 (0.42) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL809184 0.79 ALDH1A1 (0.49) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL8438397 0.78 TDP1 (0.48) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL10889654 0.77 TDP1 (0.46) ALDH1A1HSD17B10ALOX12ALOX15TSHR

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-1056711-A1 PROCESS FOR STABILISING (METHA)ACRYLIC ESTERS AGAINST UNWANTED RADICAL POLYMERISATION BASF AKTIENGESELLSCHAFT (DE) 2000-12-06 EP disclosed
WO-1999007664-A1 PROCESS FOR STABILISING (METHA)ACRYLIC ACID ESTERS AGAINST UNWANTED RADICAL POLYMERISATION BASF AKTIENGESELLSCHAFT (DE) 1999-02-18 WO disclosed