SCHEMBL11792176

SCHEMBL11792176

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TP53 P04637 5/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 3/20 0.40
POLB P06746 1/20 0.39
NR1I2 O75469 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RARB P10826 1/20 0.34

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
SCHEMBL11796525 0.89 TDP1 (0.51) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL8100488 0.88 TDP1 (0.76) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11798706 0.87 TP53 (0.63) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11792240 0.86 TDP1 (0.78) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11804692 0.83 TDP1 (0.55) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11802142 0.81 TP53 (0.47) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11800654 0.79 TP53 (0.51) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11797419 0.79 TP53 (0.78) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11800648 0.79 TP53 (0.48) TDP1MEN1KMT2ATP53ALDH1A1
Butachlor SCHEMBL23242441 0.78 TDP1 (0.84) 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