SCHEMBL11792240

SCHEMBL11792240

CCCCOCN(C(=O)CO)c1c(CC)cccc1CC

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.78
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
TP53 P04637 5/20 0.51
ALDH1A1 P00352 2/20 0.50
NR1I2 O75469 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39

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
Butachlor SCHEMBL65784 0.88 TDP1 (1.00) TDP1MEN1KMT2ATP53ALDH1A1
Butachlor SCHEMBL4891145 0.88 TDP1 (1.00) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11798618 0.87 TP53 (0.63) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11792176 0.86 TDP1 (0.59) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL27673754 0.86 TDP1 (0.73) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11814237 0.84 TDP1 (0.76) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL28816524 0.84 TDP1 (0.71) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL10780632 0.83 KMT2A (0.81) TDP1MEN1KMT2ATP53ALDH1A1
Butachlor SCHEMBL11052762 0.83 TDP1 (0.90) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11804692 0.83 TDP1 (0.55) TDP1MEN1KMT2ATP53ALDH1A1

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