SCHEMBL7184542

SCHEMBL7184542

COC(=O)CCCCC(C)F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 4/20 0.46
ALDH1A1 P00352 1/20 0.46
PABPC1 P11940 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PPARG P37231 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL25981499 0.94 TSHR (0.58) TSHRL3MBTL1LMNAALDH1A1RECQL
SCHEMBL7188869 0.85
SCHEMBL995832 0.83 TSHR (0.61) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL19281377 0.81 TSHR (0.58) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL10081322 0.81 TSHR (0.58) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL5056126 0.81 TSHR (0.58) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL4530697 0.81 TSHR (0.58) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL2254699 0.81 TSHR (0.58) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL2345504 0.81 TSHR (0.58) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL17506460 0.81 TSHR (0.58) TSHRL3MBTL1LMNAALDH1A1PABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165464-B1 PREPARATION OF SELECTIVELY FLUORINATED ORGANIC COMPOUNDS F2 CHEMICALS LTD (GB) 2003-08-20 EP disclosed
EP-1165464-A1 PREPARATION OF SELECTIVELY FLUORINATED ORGANIC COMPOUNDS F2 Chemicals Limited (GB) 2002-01-02 EP disclosed
WO-2000058241-A1 PREPARATION OF SELECTIVELY FLUORINATED ORGANIC COMPOUNDS F2 CHEMICALS LIMITED (GB) 2000-10-05 WO disclosed