SCHEMBL28635844

SCHEMBL28635844

CCCCc1cc(CCC)ccc1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.50
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
HTT P42858 2/20 0.43
ALOX5 P09917 2/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
VDR P11473 1/20 0.42
SKP2 Q13309 1/20 0.41
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL11720734 0.90 CNR1 (0.48) TYRCNR1CNR2HTTALOX5
SCHEMBL28414169 0.89 CYP3A4 (0.51) TYRHTTALOX5TP53CYP3A4
SCHEMBL18199330 0.89 TYR (0.48) TYRHTTALOX5TP53CYP3A4
SCHEMBL13953779 0.88 CNR1 (0.50) TYRCNR1CNR2HTTALOX5
SCHEMBL28774774 0.87 TP53 (0.54) TYRHTTALOX5TP53CYP3A4
SCHEMBL29157301 0.87 TP53 (0.54) TYRHTTALOX5TP53CYP3A4
SCHEMBL31003472 0.87 TP53 (0.54) TYRHTTALOX5TP53CYP3A4
SCHEMBL20657270 0.87 TYR (0.47) TYRHTTALOX5TP53CYP3A4
SCHEMBL11010604 0.85 CNR1 (0.47) CNR1CNR2ALOX5VDRCA2
SCHEMBL5167885 0.83 TYR (0.67) TYRCNR1CNR2HTTALOX5

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
CN-113348205-A Method for stabilizing halogen-free thermoplastic recyclates, plastic composition, stabilizer composition and use of stabilizer composition 弗劳恩霍夫应用研究促进协会 2021-09-03 CN disclosed