SCHEMBL24914604

SCHEMBL24914604

COC(=O)c1ccccc1Nc1ccc(NC(C)CC(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.62
MAPT P10636 2/20 0.62
ALDH1A1 P00352 8/20 0.56
HSD17B10 Q99714 4/20 0.56
TSHR P16473 3/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.51
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 5/20 0.48
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.48
GLA P06280 1/20 0.46
AURKA O14965 1/20 0.45
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
PTGS2 P35354 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
SCHEMBL24914673 0.86 ALDH1A1 (0.63) ALOX15MAPTALDH1A1HSD17B10TSHR
SCHEMBL13224505 0.83 MAPT (0.89) ALOX15MAPTALDH1A1HSD17B10TSHR
SCHEMBL12109319 0.78 MAPT (0.81) ALOX15MAPTHSD17B10TSHRMAPK1
SCHEMBL31914 0.78 MAPT (1.00) ALOX15MAPTALDH1A1HSD17B10TSHR
SCHEMBL16962432 0.77 ALDH1A1 (0.66) ALOX15MAPTALDH1A1HSD17B10TSHR
SCHEMBL23680776 0.77 MEN1 (0.53) ALOX15MAPTALDH1A1HSD17B10TSHR
SCHEMBL28658698 0.77 MAPT (0.78) ALOX15MAPTALDH1A1HSD17B10TSHR
SCHEMBL22452889 0.76 MAPT (0.76) ALOX15MAPTALDH1A1HSD17B10TSHR
SCHEMBL22853361 0.76 MAPT (0.76) ALOX15MAPTALDH1A1HSD17B10TSHR
SCHEMBL13832955 0.76 MAPT (0.76) ALOX15MAPTALDH1A1HSD17B10TSHR

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
WO-2023098953-A1 COMPOUND, RUBBER BLEND CONTAINING THE COMPOUND, VEHICLE TIRE COMPRISING THE RUBBER BLEND IN AT LEAST ONE COMPONENT, PROCESS FOR PRODUCING THE COMPOUND, AND USE OF THE COMPOUND AS AN AGEING PROTECTANT AND/OR ANTIOXIDANT AND/OR DYE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2023-06-08 WO disclosed
WO-2023001341-A1 COMPOUND, RUBBER BLEND CONTAINING THE COMPOUND, VEHICLE TIRE COMPRISING THE RUBBER BLEND IN AT LEAST ONE COMPONENT, PROCESS FOR PRODUCING THE COMPOUND, AND USE OF THE COMPOUND AS AN AGEING PROTECTANT AND/OR ANTIOZONANT AND/OR DYE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2023-01-26 WO disclosed