SCHEMBL28565454

SCHEMBL28565454

C=COC(=O)C=CCN1CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
BLM P54132 1/20 0.39
KMT2A Q03164 3/20 0.38
PIK3CD O00329 1/20 0.36
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1177989 0.77 TSHR (0.34) TSHRBLMKMT2ALMNA
SCHEMBL24108794 0.76 TSHR (0.47) TSHRBLMKMT2APIK3CDHTT
SCHEMBL8088334 0.76 TSHR (0.56) TSHRBLMKMT2APIK3CDHTT
SCHEMBL24108764 0.75 PIK3CD (0.43) TSHRBLMKMT2APIK3CDCYP1A2
SCHEMBL1226609 0.75 TSHR (0.54) TSHRBLMKMT2APIK3CDHTT
SCHEMBL28170800 0.74 ELANE (0.30) KMT2ACYP2C19MEN1
Ethylene SCHEMBL28771202 0.74 TSHR (0.53) TSHRBLMKMT2APIK3CDHTT
SCHEMBL19010118 0.74 PIK3CD (0.50) TSHRBLMKMT2APIK3CDHTT
SCHEMBL19977291 0.72 CHRM2 (0.46) TSHRBLMKMT2APIK3CDCYP1A2
SCHEMBL169034 0.72 TSHR (0.48) TSHRBLMKMT2APIK3CDHTT

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
CN-112741897-A Composition of micro-array drug delivery system of glucagon-like peptide-1 receptor agonist 南京滕恩医药有限公司 2021-05-04 CN disclosed
CN-112741798-A Preparation process of micro-array drug delivery system of glucagon-like peptide-1 receptor agonist 南京滕恩医药有限公司 2021-05-04 CN disclosed