SCHEMBL4381355

SCHEMBL4381355

O=C(O)CCCCCCCCCCOS(=O)(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 5/20 0.46
LMNA P02545 3/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
GPR84 Q9NQS5 8/20 0.40
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
FABP4 P15090 2/20 0.39
ALOX15 P16050 2/20 0.39
PTPN1 P18031 2/20 0.39

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
SCHEMBL15619097 0.98 ALDH1A1 (0.45) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL4014511 0.92 LMNA (0.40) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL12597463 0.87 PAOX (0.41) ALDH1A1TSHRLMNAFNTAFNTB
SCHEMBL8398329 0.85 CA2 (0.46) ALDH1A1TSHRLMNAALOX15RECQL
SCHEMBL4952312 0.85 CA2 (0.46) ALDH1A1TSHRLMNAALOX15RECQL
SCHEMBL23291930 0.85 CA2 (0.46) ALDH1A1TSHRLMNAALOX15RECQL
SCHEMBL2735589 0.85 CA2 (0.46) ALDH1A1TSHRLMNAALOX15RECQL
SCHEMBL14779178 0.85 CA2 (0.46) ALDH1A1TSHRLMNAALOX15RECQL
SCHEMBL5238163 0.84 CA2 (0.40) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL575713 0.83 CA2 (0.44) ALDH1A1TSHRLMNAALOX15RECQL

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-1658503-B1 CHEMILUMINESCENT COMPOUNDS MOLECULAR LIGHT TECH RES LTD (GB) 2009-11-18 EP disclosed
EP-1658503-A1 CHEMILUMINESCENT COMPOUNDS Molecular Light Technology Research Limited (GB) 2006-05-24 EP disclosed
WO-2005022161-A1 CHEMILUMINESCENT COMPOUNDS MOLECULAR LIGHT TECHNOLOGY RESEARCH LIMITED (GB) 2005-03-10 WO disclosed