SCHEMBL22197968

SCHEMBL22197968

CC(C)(N)CC(C)(C)CC(=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 1/20 0.30
DGAT1 O75907 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL20069102 0.83 CYP2D6 (0.33) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL7826803 0.82 DGAT1 (0.34) LMNACYP2D6KDM4EDGAT1HDAC3
SCHEMBL11395424 0.81 TSHR (0.39) LMNAKDM4E
SCHEMBL23745157 0.79 MTNR1A (0.33) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL1951896 0.78 KDM4E (0.52) CYP2D6KDM4EDGAT1HDAC3HDAC1
SCHEMBL31238586 0.78 HDAC3 (0.37) LMNACYP2D6DGAT1HDAC3HDAC1
SCHEMBL26000369 0.78 CYP2D6 (0.32) CYP2D6
SCHEMBL5856956 0.77 MAOA (0.35) CYP2D6KDM4EDGAT1HDAC3HDAC1
SCHEMBL16744314 0.76 DGAT1 (0.33) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL28832570 0.76 DGAT1 (0.33) LMNACYP2D6DGAT1HDAC3HDAC1

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-2020142228-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-07-09 WO disclosed