SCHEMBL22471663

SCHEMBL22471663

O=C(O)c1ccc2ccccc2c1C(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.46
LDHA P00338 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC6A4 P31645 4/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41

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
SCHEMBL17042187 0.88 SLC6A4 (0.42) LMNAMAPTHTTNPSR1SLC6A4
SCHEMBL28633006 0.85 WDR5 (0.60) WDR5LDHALMNAMAPTHTT
SCHEMBL517342 0.84 LMNA (0.44) LMNAMAPTHTTNPSR1SLC6A4
SCHEMBL517005 0.83 PTPN1 (0.43) LMNAMAPTHTTNPSR1SLC6A4
SCHEMBL1071845 0.83 SLC6A4 (0.49) LMNAMAPTHTTNPSR1SLC6A4
SCHEMBL517710 0.83 PTPN1 (0.43) LMNAMAPTHTTNPSR1SLC6A4
SCHEMBL517345 0.83 PTPN1 (0.43) LMNAMAPTHTTNPSR1SLC6A4
SCHEMBL5368713 0.83 SLC6A4 (0.42) LMNAMAPTHTTNPSR1SLC6A4
SCHEMBL518026 0.82 PTPN1 (0.44) LMNAMAPTHTTNPSR1SLC6A4
Cyclohexane SCHEMBL28004473 0.79 WDR5 (0.61) WDR5LDHALMNAALDH1A1CYP1A2

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-3947540-A1 METHOD FOR STABILIZING THERMOPLASTIC RECYCLATES, STABILIZED PLASTIC COMPOSITIONS, AND MOLDING COMPOUNDS AND MOLDED PARTS PRODUCED THEREFROM FRAUNHOFER-GESELLSCHAFT zur Förderung der angewandten Forschung e.V. (DE) 2022-02-09 EP disclosed
WO-2020193563-A1 METHOD FOR STABILIZING THERMOPLASTIC RECYCLATES, STABILIZED PLASTIC COMPOSITIONS, AND MOLDING COMPOUNDS AND MOLDED PARTS PRODUCED THEREFROM Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2020-10-01 WO disclosed