SCHEMBL11206256

SCHEMBL11206256

O=C1CC=CC=C1C(=O)OCCCCOC(=O)C1=CC=CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 4/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
ESR1 P03372 4/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL277725 0.95 TSHR (0.34) TDP1TSHRMAPK1TP53CYP3A4
SCHEMBL9823512 0.94 TSHR (0.49) TDP1TSHRMAPK1TP53CYP3A4
SCHEMBL5690811 0.94 TSHR (0.46) TDP1TSHRMAPK1TP53CYP3A4
SCHEMBL453283 0.92 ALDH1A1 (0.50) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL3662482 0.90 ALDH1A1 (0.43) TDP1TSHRMAPK1TP53CYP3A4
Formaldehyde SCHEMBL9062631 0.89 ALDH1A1 (0.48) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL5153493 0.86 TSHR (0.40) TSHRCYP3A4ALDH1A1LMNAL3MBTL1
SCHEMBL6536699 0.83 TSHR (0.31) TSHRLMNA
SCHEMBL1982818 0.82 ALDH1A1 (0.37) TDP1TSHRMAPK1TP53CYP3A4
SCHEMBL3911174 0.81 CRHBP (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4414230-A BLEND OF A POLYESTER-CARBONATE COPOLYMER AND A POLYESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-08 US claimed
US-4414230-A BLEND OF A POLYESTER-CARBONATE COPOLYMER AND A POLYESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-08 US disclosed