SCHEMBL22282303

SCHEMBL22282303

COCCOCCN(C)C(=O)OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ BLM P54132 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL17191610 0.89 PIK3CD (0.41) CHRNB2CHRNB4CHRNA3CHRNA4PIK3CD
SCHEMBL29879121 0.82 BLM (0.36) CHRNB2CHRNB4CHRNA3CHRNA4BLM
SCHEMBL25509703 0.79 TSHR (0.42) CHRNB2CHRNB4CHRNA3CHRNA4HDAC1
SCHEMBL22151616 0.79 BLM (0.34) CHRNB2CHRNB4CHRNA3CHRNA4BLM
SCHEMBL19002259 0.79 BLM (0.34) CHRNB2CHRNB4CHRNA3CHRNA4BLM
SCHEMBL23217972 0.76 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4BLM
SCHEMBL22957198 0.76 PDK2 (0.37) BLMPMP22HSD17B10HDAC1HDAC6
SCHEMBL21900626 0.76 PIK3CD (0.36) BLMPMP22HSD17B10PIK3CDMEN1
SCHEMBL5826298 0.76 BLM (0.38) BLMPMP22HSD17B10TSHR
SCHEMBL5826288 0.76 BLM (0.38) BLMPMP22HSD17B10TSHR

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
WO-2020154447-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2020-07-30 — — WO disclosed
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