SCHEMBL23745157

SCHEMBL23745157

CC(C)(Br)CC(C)(C)CC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
CYP2D6 P10635 1/20 0.31
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
SCHEMBL18903926 0.81 TSHR (0.39)
SCHEMBL22111939 0.80 STING1 (0.33) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL22197968 0.79 LMNA (0.31) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL16313462 0.78 CYP2D6 (0.33) MTNR1AMTNR1BCYP2D6DGAT1HDAC3
SCHEMBL26000369 0.78 CYP2D6 (0.32) CYP2D6
SCHEMBL8066490 0.78 ALDH1A1 (0.45)
SCHEMBL16744314 0.76 DGAT1 (0.33) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL23748469 0.76 TDP1 (0.34) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL1951896 0.74 KDM4E (0.52) CYP2D6DGAT1HDAC3HDAC1HDAC2

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-2021158707-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2021-08-12 WO disclosed