SCHEMBL28519762

SCHEMBL28519762

CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CCOC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
LMNA P02545 1/20 0.54
PKM P14618 4/20 0.50
MAPK1 P28482 3/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 2/20 0.46
EGFR P00533 2/20 0.46
BLM P54132 1/20 0.45
KMT2A Q03164 2/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL14273831 1.00 TDP1 (0.57) TDP1LMNAPKMMAPK1HSD17B10
SCHEMBL3295954 1.00 TDP1 (0.57) TDP1LMNAPKMMAPK1HSD17B10
Squalane SCHEMBL6425894 0.98 TDP1 (0.56) TDP1LMNAPKMMAPK1HSD17B10
SCHEMBL16377899 0.92 PKM (0.57) TDP1LMNAPKMMAPK1HSD17B10
SCHEMBL16194376 0.91 TDP1 (0.48) TDP1LMNAPKMMAPK1HSD17B10
SCHEMBL223683 0.91 LMNA (0.65) TDP1LMNAPKMMAPK1HSD17B10
SCHEMBL9858207 0.88 PKM (0.54) TDP1LMNAPKMMAPK1HSD17B10
SCHEMBL14937504 0.87 TDP1 (0.70) TDP1LMNAPKMMAPK1HSD17B10
Benzoic Acid 1-(3-Methyl)Butyl Ester SCHEMBL132524 0.87 LMNA (0.65) TDP1LMNAPKMMAPK1HSD17B10
Benzoic Acid 1-(3-Methyl)Butyl Ester SCHEMBL28250108 0.87 LMNA (0.65) TDP1LMNAPKMMAPK1HSD17B10

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
CN-106977567-B Oligonucleotide with protected base moiety 味之素株式会社 2021-02-02 CN disclosed