SCHEMBL3756989

SCHEMBL3756989

CCCCCCC(CCCC)CC(C)(CCCCC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.51
FFAR1 O14842 2/20 0.51
PPARG P37231 8/20 0.49
GPR84 Q9NQS5 7/20 0.49
PPARD Q03181 7/20 0.49
PPARA Q07869 7/20 0.49
HDAC11 Q96DB2 5/20 0.49
TSHR P16473 4/20 0.49
PTPN1 P18031 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TLR2 O60603 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
FABP4 P15090 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
MEN1 O00255 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX15 P16050 1/20 0.49
PDE4A P27815 1/20 0.49

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
SCHEMBL3759289 1.00 FFAR4 (0.51) FFAR4FFAR1PPARGGPR84PPARD
SCHEMBL3749427 1.00 FFAR4 (0.51) FFAR4FFAR1PPARGGPR84PPARD
SCHEMBL3747395 1.00 FFAR4 (0.51) FFAR4FFAR1PPARGGPR84PPARD
SCHEMBL3752549 1.00 FFAR4 (0.51) FFAR4FFAR1PPARGGPR84PPARD
SCHEMBL3744762 1.00 FFAR4 (0.51) FFAR4FFAR1PPARGGPR84PPARD
SCHEMBL3759775 0.96 FFAR4 (0.49) FFAR4FFAR1PPARGGPR84PPARD
SCHEMBL29269935 0.93 CA2 (0.43) FFAR1GPR84PPARDMAPT
SCHEMBL28610201 0.93 CA2 (0.43) FFAR1GPR84PPARDMAPT
SCHEMBL28597977 0.93 CA2 (0.43) FFAR1GPR84PPARDMAPT
SCHEMBL28611950 0.93 CA2 (0.43) FFAR1GPR84PPARDMAPT

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
US-20100298432-A1 Cosmetic Compositions Containing Esters of 2-Butyloctanol COGNIS IP MANAGEMENT GMBH (DE) 2010-11-25 US disclosed