SCHEMBL7782357

SCHEMBL7782357

CC(F)CCCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
TSHR P16473 4/20 0.50
FFAR4 Q5NUL3 2/20 0.50
FFAR1 O14842 2/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50
ALDH1A1 P00352 3/20 0.48
GSTK1 Q9Y2Q3 2/20 0.48
AKR1B1 P15121 1/20 0.48
ENPEP Q07075 1/20 0.47
PPARG P37231 5/20 0.46
PPARD Q03181 5/20 0.46
PPARA Q07869 5/20 0.46
HDAC11 Q96DB2 4/20 0.46
GPR84 Q9NQS5 3/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
PTPN1 P18031 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46

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
SCHEMBL21895793 0.98 TSHR (0.55) LMNATSHRFFAR4FFAR1NFKB1
SCHEMBL6883232 0.93
SCHEMBL14141000 0.82
SCHEMBL1032059 0.82
Hydrochloric Acid SCHEMBL27842086 0.80
SCHEMBL4854329 0.80 LMNA (0.58) LMNATSHRFFAR4FFAR1NFKB1
SCHEMBL245252 0.80 KDM4C (0.60) LMNATSHRFFAR4FFAR1NFKB1
SCHEMBL9405817 0.80 LMNA (0.58) LMNATSHRFFAR4FFAR1NFKB1
Adipic Acid SCHEMBL28140166 0.79 LMNA (0.73) LMNATSHRFFAR4FFAR1NFKB1
SCHEMBL20528308 0.78 KDM4C (0.58) LMNATSHRFFAR4FFAR1NFKB1

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