SCHEMBL27799112

SCHEMBL27799112

COC(=O)CCCOC=COC=COCCCC(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
LMNA P02545 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
GLA P06280 1/20 0.35
OXER1 Q8TDS5 1/20 0.35
EPHX2 P34913 1/20 0.35
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33

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
SCHEMBL10639773 0.79 TSHR (0.58) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL7772507 0.78 TSHR (0.56) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL8076331 0.75 TSHR (0.82) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL1100760 0.73 TSHR (0.56) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL4430084 0.73 TSHR (0.70) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL907647 0.73
SCHEMBL14975 0.72 TSHR (0.88) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL27953228 0.72 TSHR (0.88) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL50039 0.72 TSHR (1.00) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL28238018 0.72 TSHR (1.00) TSHRLMNAALDH1A1MAPTKMT2A

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-101693215-B Preparation and application of fluororesins with low ion exchange capacity DONGYUE SHENZHOU NEW MAT CO 2010-12-29 CN disclosed