SCHEMBL28639946

SCHEMBL28639946

CCCCCCCCCCCCCCCCCCCCC(O)Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.54
PPARD Q03181 1/20 0.54
ZDHHC20 Q5W0Z9 1/20 0.54
ZDHHC2 Q9UIJ5 1/20 0.54
GPR84 Q9NQS5 7/20 0.50
LMNA P02545 2/20 0.50
SPHK1 Q9NYA1 2/20 0.50
FFAR1 O14842 2/20 0.50
ZDHHC7 Q9NXF8 1/20 0.48
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

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
SCHEMBL29021939 1.00 LCK (0.54) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL28443444 1.00 LCK (0.54) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL2934539 1.00 LCK (0.54) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL1579998 1.00 LCK (0.54) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL28655998 1.00 LCK (0.54) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL1816629 1.00 LCK (0.54) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL4282937 1.00 LCK (0.54) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL5888663 1.00 LCK (0.54) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL6141035 1.00
SCHEMBL9158434 1.00 LCK (0.54) LCKPPARDZDHHC20ZDHHC2GPR84

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
CN-113521010-A Nano drug delivery system and preparation method and application thereof 广东省科学院健康医学研究所 2021-10-22 CN disclosed