SCHEMBL28527124

SCHEMBL28527124

CCOC(=O)C(C)n1ccnc1CO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.57
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9806401 0.87 FPR2 (0.56) FPR2CYP1A2CYP2C9CYP2C19GAA
SCHEMBL2970104 0.83 FPR2 (0.51) FPR2CYP1A2CYP2C9CYP2C19GAA
SCHEMBL28415000 0.79 FPR2 (0.48) FPR2CYP1A2CYP2C9CYP2C19GAA
SCHEMBL30554020 0.79 FPR2 (0.48) FPR2CYP1A2CYP2C9CYP2C19GAA
SCHEMBL28520005 0.78 FPR2 (0.47) FPR2CYP1A2CYP2C9CYP2C19GAA
SCHEMBL5654711 0.75 ADORA3 (0.35) FPR2ALDH1A1OPRK1MEN1KMT2A
SCHEMBL5655733 0.74 ADORA2A (0.35) FPR2GAAALDH1A1
SCHEMBL17286101 0.74 FPR2 (1.00) FPR2GAAMAPTMEN1KMT2A
SCHEMBL17865369 0.73 FPR2 (0.33) FPR2OPRK1MEN1KMT2ASMN1; SMN2
SCHEMBL30487722 0.72 FPR2 (0.36) FPR2GAAALDH1A1MAPTL3MBTL1

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-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 CN disclosed