SCHEMBL28064406

SCHEMBL28064406

CCCCCCCCCCCCCC(CCCC(=O)O)c1cc(C)cc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.50
FFAR1 O14842 2/20 0.50
CYSLTR2 Q9NS75 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50
GPR84 Q9NQS5 7/20 0.47
PPARG P37231 7/20 0.47
PPARD Q03181 7/20 0.47
PPARA Q07869 7/20 0.47
HDAC11 Q96DB2 5/20 0.47
TSHR P16473 4/20 0.47
PTPN1 P18031 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TLR2 O60603 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
FABP4 P15090 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
MEN1 O00255 1/20 0.47
ESR1 P03372 1/20 0.47

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
SCHEMBL11851597 0.87 LMNA (0.46) FFAR4FFAR1CYSLTR2CYSLTR1HDAC11
SCHEMBL11660172 0.83 LMNA (0.38) FFAR1CYSLTR2CYSLTR1HDAC11TSHR
SCHEMBL8904466 0.81 CYSLTR2 (0.63) FFAR4FFAR1CYSLTR2CYSLTR1GPR84
SCHEMBL8846325 0.81 CYSLTR2 (0.63) FFAR4FFAR1CYSLTR2CYSLTR1GPR84
SCHEMBL27940146 0.80 GPR84 (0.43) FFAR4FFAR1CYSLTR2CYSLTR1GPR84
SCHEMBL8904067 0.80 CYSLTR2 (0.61) FFAR4FFAR1CYSLTR2CYSLTR1GPR84
SCHEMBL11139419 0.79 VCAM1 (0.46) FFAR4FFAR1CYSLTR2CYSLTR1GPR84
SCHEMBL10354176 0.78 CYSLTR2 (0.59) FFAR4FFAR1CYSLTR2CYSLTR1GPR84
SCHEMBL30497412 0.78 CYSLTR2 (0.59) FFAR4FFAR1CYSLTR2CYSLTR1GPR84
SCHEMBL825340 0.78 CYSLTR2 (0.59) FFAR4FFAR1CYSLTR2CYSLTR1GPR84

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-103641750-B Surfactant containing aralkyl hydrophobic chain and amido bond connecting group PETROCHINA COMPANY LIMITED (CN) 2016-05-11 CN disclosed