SCHEMBL7783582

SCHEMBL7783582

COC(=O)CCCC(F)CC(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 3/20 0.37
CA14 Q9ULX7 3/20 0.37
SLC1A1 P43005 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
GLA P06280 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PABPC1 P11940 1/20 0.34
APOBEC3A P31941 1/20 0.34

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
SCHEMBL7181549 0.84 CA2 (0.46) TSHRLMNAKMT2AMEN1CA12
SCHEMBL7183546 0.84 TSHR (0.54) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL4294644 0.81 TSHR (0.61) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL25981499 0.79 TSHR (0.58) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL11288927 0.77 TSHR (0.50) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL22660949 0.76 TSHR (0.48) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL8432394 0.74 TSHR (0.64) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL130826 0.74 TSHR (0.64) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL7190105 0.74
SCHEMBL18654092 0.74

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
EP-1140734-A1 PREPARATION OF SELECTIVELY FLUORINATED ORGANIC COMPOUNDS F2 Chemicals Limited (GB) 2001-10-10 EP disclosed
WO-2001028959-A1 PREPARATION OF SELECTIVELY FLUORINATED ORGANIC COMPOUNDS F2 CHEMICALS LTD. (GB) 2001-04-26 WO disclosed