SCHEMBL28879485

SCHEMBL28879485

CCC(C)OC(=O)NCCl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.35
MAPT P10636 2/20 0.34
FAAH O00519 1/20 0.34
EPHX2 P34913 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 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
SCHEMBL5638554 0.83 SMN1; SMN2 (0.44) CTSKMAPTEPHX2SMN1; SMN2TUBB4A
SCHEMBL28879479 0.80
SCHEMBL8432418 0.79 CTSK (0.35) CTSKMAPTEPHX2SMN1; SMN2TUBB4A
SCHEMBL11419405 0.79 CHRNB2 (0.46) MAPTALOX15ALDH1A1KMT2ACHRNB2
SCHEMBL15759434 0.79 CYP2D6 (0.46) CTSKMAPTEPHX2SMN1; SMN2RAB9A
SCHEMBL13662175 0.78 MME (0.46) CTSKMAPTFAAHALDH1A1
SCHEMBL10874284 0.78 CHRNB2 (0.45) MAPTEPHX2SMN1; SMN2USP2TSHR
SCHEMBL28285725 0.77
SCHEMBL7603541 0.76 ANPEP (0.40) SMN1; SMN2RAB9ABRD4ALOX15ALDH1A1
SCHEMBL10972245 0.76 ACHE (0.55) ALOX15ALDH1A1KMT2A

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-109608436-B Substituted methyl formyl reagents and methods of using same to improve physicochemical and/or pharmacokinetic properties of compounds 斯法尔制药私人有限公司 2022-10-11 CN disclosed