SCHEMBL13894579

SCHEMBL13894579

CC[C@@H](CCCCCC(=O)O)NC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2C Q5R387 2/20 0.50
▸ FFAR4 Q5NUL3 2/20 0.49
▸ FFAR1 O14842 2/20 0.49
▸ PLA2G10 O15496 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ GPR84 Q9NQS5 7/20 0.45
▸ PPARG P37231 6/20 0.45
▸ PPARD Q03181 6/20 0.45
▸ PPARA Q07869 6/20 0.45
▸ HDAC11 Q96DB2 5/20 0.45
▸ TSHR P16473 4/20 0.45
▸ TLR2 O60603 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ FABP4 P15090 2/20 0.45
▸ PTPN1 P18031 2/20 0.45
▸ SLC22A6 Q4U2R8 1/20 0.45
▸ SLC22A8 Q8TCC7 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ESR1 P03372 1/20 0.45

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
SCHEMBL27940454 0.98 PLA2G2C (0.48) PLA2G2CFFAR4FFAR1PLA2G10ALDH1A1
SCHEMBL11665886 0.93 PLA2G2C (0.49) PLA2G2CFFAR4FFAR1PLA2G10ALDH1A1
SCHEMBL11021921 0.88 PLA2G2C (0.64) PLA2G2CFFAR4FFAR1PLA2G10ALDH1A1
SCHEMBL27566548 0.86 PLA2G2C (0.61) PLA2G2CFFAR4FFAR1PLA2G10ALDH1A1
SCHEMBL1479318 0.85 PLA2G2C (0.55) PLA2G2CPLA2G10ALOX15
SCHEMBL3503915 0.83 PLA2G2C (0.54) PLA2G2CPLA2G10ALOX15
SCHEMBL13840537 0.83 PLA2G2C (0.60) PLA2G2CFFAR1GPR84
SCHEMBL8513712 0.81 PLA2G2C (0.57) PLA2G2CFFAR1GPR84
SCHEMBL11546042 0.79 ANPEP (0.50) PLA2G2CFFAR4FFAR1ALDH1A1GPR84
SCHEMBL13715798 0.79 PLA2G2C (0.59) PLA2G2C

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
WO-2009042544-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2009-04-02 — — WO disclosed
Send feedback