SCHEMBL21733188

SCHEMBL21733188

CC(COC(=O)c1ccccc1)OCCCOC(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.54
ADRB2 P07550 2/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
MAPT P10636 1/20 0.48
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
TSHR P16473 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
ESR1 P03372 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP2D6 P10635 1/20 0.46
NR1H2 P55055 1/20 0.46
RNASEL Q05823 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC1A5 Q15758 1/20 0.46
CYP3A4 P08684 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
SCHEMBL21733186 0.91 ALDH1A1 (0.57) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL22832632 0.90 LMNA (0.57) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL12971093 0.87 LMNA (0.54) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL12971071 0.87 LMNA (0.54) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL22832433 0.86 LMNA (0.65) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL12971003 0.86 LMNA (0.53) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL22832415 0.84 LMNA (0.61) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL7161646 0.84 ALDH1A1 (0.57) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL22832426 0.84 LMNA (0.61) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL22832408 0.83 ALDH1A1 (0.59) TDP1LMNAALDH1A1ADRB2ADRB1

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