SCHEMBL736042

SCHEMBL736042

CCCCCCCCC(O)C#CC(O)CCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.50
LMNA P02545 2/20 0.50
SPHK1 Q9NYA1 2/20 0.50
FFAR1 O14842 2/20 0.50
HMGCR P04035 1/20 0.49
CYP2D6 P10635 2/20 0.46
GMNN O75496 1/20 0.46
POLB P06746 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
BLM P54132 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CETP P11597 1/20 0.46
HTT P42858 1/20 0.46
UBE2N P61088 1/20 0.46
FFAR4 Q5NUL3 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
SCHEMBL735733 1.00 GPR84 (0.50) GPR84LMNASPHK1FFAR1HMGCR
SCHEMBL736712 1.00 GPR84 (0.50) GPR84LMNASPHK1FFAR1HMGCR
SCHEMBL736703 1.00 GPR84 (0.50) GPR84LMNASPHK1FFAR1HMGCR
SCHEMBL736168 0.97 GPR84 (0.46) GPR84LMNASPHK1FFAR1HMGCR
SCHEMBL31682165 0.93 GPR84 (0.45) GPR84LMNASPHK1FFAR1HMGCR
SCHEMBL31682145 0.93 GPR84 (0.45) GPR84LMNASPHK1FFAR1HMGCR
SCHEMBL31682164 0.93 GPR84 (0.45) GPR84LMNASPHK1FFAR1HMGCR
SCHEMBL31682142 0.93 GPR84 (0.45) GPR84LMNASPHK1FFAR1HMGCR
SCHEMBL31682130 0.93 GPR84 (0.45) GPR84LMNASPHK1FFAR1HMGCR
SCHEMBL31682143 0.93 GPR84 (0.45) GPR84LMNASPHK1FFAR1HMGCR

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-8137818-B2 Poly(lactic acid)-containing compositions for use in imparting oil, grease, or water resistance to paper TATE & LYLE INGREDIENTS AMERICAS LLC (US) 2012-03-20 US disclosed
US-20100021751-A1 Poly(Lactic Acid)-Containing Compositions for Use in Imparting Oil, Grease, or Water Resistance to Paper TATE & LYLE INGREDIENTS AMERICAS LLC 2010-01-28 US disclosed