SCHEMBL11798583

SCHEMBL11798583

COCN(C(=O)CO)c1c(C(C)C)cccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LPAR1 Q92633 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL11798009 0.88 TP53 (0.48) TP53KDM4EHPGDTSHRHSD17B10
SCHEMBL11795191 0.83 TP53 (0.44) TP53KDM4EHPGDTSHRHSD17B10
SCHEMBL11801969 0.76 GABRA1 (0.39) TP53HPGDTSHRGABRA1GABRG2
SCHEMBL11795452 0.76 TP53 (0.46) TP53TSHRGABRA1GABRG2GABRB3
SCHEMBL11800610 0.75 TP53 (0.38) TP53TSHRGABRA1NPSR1
SCHEMBL11800654 0.72 TP53 (0.51) TP53KDM4EHPGDTSHRHSD17B10
SCHEMBL11423910 0.72 TP53 (0.59) TP53KDM4EHPGDTSHRHSD17B10
SCHEMBL8201328 0.72 TP53 (0.59) TP53KDM4EHPGDTSHRHSD17B10
SCHEMBL11798133 0.72 TP53 (0.54) TP53TSHRGABRA1
SCHEMBL10622917 0.72 TP53 (0.59) TP53KDM4EHPGDTSHRHSD17B10

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
US-3956388-A N-methylol ethers of glycollic anilides BASF AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed