SCHEMBL28344784

SCHEMBL28344784

CCC(C)(NC(C)C)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
MMP8 P22894 1/20 0.33
CTSK P43235 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 1/20 0.31
PIK3CD O00329 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL22891945 0.83 DGAT1 (0.34) DGAT1MMP8CA1CA2CA7
SCHEMBL26996992 0.83 DGAT1 (0.34) DGAT1MMP8CA1CA2CA7
SCHEMBL16750132 0.78 TSHR (0.38) PIK3CDTSHRSMN1; SMN2ALDH1A1
SCHEMBL12885564 0.77 KISS1R (0.32) DGAT1
SCHEMBL10257080 0.76 ACACB (0.33) CTSKCA1CA2
SCHEMBL10257384 0.76 ACACB (0.33) CTSKCA1CA2
SCHEMBL16417529 0.76 ACACB (0.33) CTSKCA1CA2
SCHEMBL806956 0.76 DGAT1 (0.38) DGAT1CA1CA7TSHRALDH1A1
SCHEMBL4069477 0.76 DGAT1 (0.38) DGAT1CA1CA7TSHRALDH1A1
SCHEMBL12600077 0.74 DGAT1 (0.37) DGAT1TSHRALDH1A1POLB

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-106977584-B Compound for targeted ubiquitination degradation of PLK1 and BRD4 proteins and application thereof JILIN UNIVERSITY (CN) 2019-12-06 CN disclosed