SCHEMBL4248927

SCHEMBL4248927

O=C(O)[C@@H](O)CCCCCCBr

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.61
FFAR1 O14842 1/20 0.61
TET2 Q6N021 4/20 0.46
KDM4A O75164 2/20 0.46
KDM4C Q9H3R0 2/20 0.46
KDM2A Q9Y2K7 2/20 0.46
TET3 O43151 1/20 0.46
TBXAS1 P24557 2/20 0.43
OR51E2 Q9H255 1/20 0.40
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL5696751 0.87 GPR84 (0.76) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL11651698 0.84 GPR84 (0.71) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL27861319 0.80 LCK (0.41) GPR84FFAR1TBXAS1LCKPPARD
SCHEMBL19745135 0.80 LCK (0.41) GPR84FFAR1TBXAS1LCKPPARD
SCHEMBL7931050 0.80 LCK (0.41) GPR84FFAR1TBXAS1LCKPPARD
SCHEMBL9697909 0.80 LCK (0.41) GPR84FFAR1TBXAS1LCKPPARD
SCHEMBL10788596 0.80 GPR84 (0.67) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL1404687 0.79
SCHEMBL1404740 0.79
SCHEMBL8846632 0.79

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
EP-2089522-A1 MUTANTS OF PHA SYNTHASE FROM PSEUDOMONAS SP.6-19 AND METHOD FOR PREPARING LACTATE HOMOPOLYMER OR COPOLYMER USING THE SAME LG Chem, Ltd. (KR) 2009-08-19 EP disclosed
WO-2008062999-A1 MUTANTS OF PHA SYNTHASE FROM PSEUDOMONAS SP.6-19 AND METHOD FOR PREPARING LACTATE HOMOPOLYMER OR COPOLYMER USING THE SAME LG CHEM, LTD. (KR) 2008-05-29 WO disclosed