SCHEMBL21733186

SCHEMBL21733186

CC(COC(=O)c1ccccc1)OCCOC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
TDP1 Q9NUW8 2/20 0.56
ADRB2 P07550 2/20 0.54
ADRB1 P08588 2/20 0.54
ADRB3 P13945 2/20 0.54
PKM P14618 1/20 0.49
TSHR P16473 2/20 0.49
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL21733188 0.91 TDP1 (0.62) ALDH1A1LMNATDP1ADRB2ADRB1
SCHEMBL7161646 0.89 ALDH1A1 (0.57) ALDH1A1LMNATDP1ADRB2ADRB1
SCHEMBL22832433 0.89 LMNA (0.65) ALDH1A1LMNATDP1ADRB2ADRB1
SCHEMBL1188371 0.88 LMNA (0.51) ALDH1A1LMNATDP1ADRB2ADRB1
SCHEMBL14677535 0.88 LMNA (0.51) ALDH1A1LMNATDP1ADRB2ADRB1
SCHEMBL16876662 0.87 LMNA (0.57) ALDH1A1LMNATDP1ADRB2ADRB1
SCHEMBL22832415 0.86 LMNA (0.61) ALDH1A1LMNATDP1ADRB2ADRB1
SCHEMBL22832632 0.86 LMNA (0.57) ALDH1A1LMNATDP1ADRB2ADRB1
SCHEMBL22832426 0.86 LMNA (0.61) ALDH1A1LMNATDP1ADRB2ADRB1
SCHEMBL22832408 0.85 ALDH1A1 (0.59) ALDH1A1LMNATDP1ADRB2ADRB1

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-20200054933-A1 MAINTENANCE METHOD OF BOWLING BALL, PLASTICIZER YAMADA YUTAKA (JP) 2020-02-20 US disclosed