SCHEMBL9004575

SCHEMBL9004575

CCCC(Cl)CCCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
FFAR4 Q5NUL3 2/20 0.55
FFAR1 O14842 2/20 0.55
AKR1B1 P15121 1/20 0.54
GPR84 Q9NQS5 7/20 0.52
PPARG P37231 7/20 0.52
PPARD Q03181 7/20 0.52
PPARA Q07869 7/20 0.52
HDAC11 Q96DB2 5/20 0.52
TSHR P16473 4/20 0.52
PTPN1 P18031 3/20 0.52
TLR2 O60603 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
FABP4 P15090 2/20 0.52
KMT2A Q03164 2/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
MEN1 O00255 1/20 0.52
ESR1 P03372 1/20 0.52
ALOX15 P16050 1/20 0.52

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
SCHEMBL5508699 0.94 ALDH1A1 (0.50) ALDH1A1FFAR4FFAR1AKR1B1GPR84
SCHEMBL7607291 0.92 FFAR4 (0.60) ALDH1A1FFAR4FFAR1AKR1B1GPR84
SCHEMBL7615996 0.90 FFAR4 (0.69) ALDH1A1FFAR4FFAR1AKR1B1GPR84
SCHEMBL8837022 0.90 FFAR4 (0.69) ALDH1A1FFAR4FFAR1AKR1B1GPR84
SCHEMBL4965800 0.90 FFAR4 (0.69) ALDH1A1FFAR4FFAR1AKR1B1GPR84
Decanoic Acid SCHEMBL8358611 0.88 FFAR4 (0.67) ALDH1A1FFAR4FFAR1AKR1B1GPR84
SCHEMBL28973559 0.88 FFAR4 (0.60) ALDH1A1FFAR4FFAR1AKR1B1GPR84
Dodecane SCHEMBL8358612 0.86 FFAR4 (0.63) ALDH1A1FFAR4FFAR1AKR1B1GPR84
SCHEMBL29200162 0.86 FFAR4 (0.63) ALDH1A1FFAR4FFAR1AKR1B1GPR84
SCHEMBL7616041 0.85 FFAR4 (0.52) ALDH1A1FFAR4FFAR1AKR1B1GPR84

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
US-5547811-A PHOTOPOLYMERIZABLE MATERIAL ON TRANSPARENT FLEXIBLE SUPPORT;PHOTOINITIATOR; PIGMENT AGFA-GEVAERT AG (DE) 1996-08-20 US disclosed
US-5492791-A PHOTOPOLYMERIZABLE LAYER HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-20 US disclosed