SCHEMBL23845529

SCHEMBL23845529

CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)COc1cccc(CCCCC(N)=O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 5/20 0.42
▸ HDAC3 O15379 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC10 Q969S8 2/20 0.36
▸ HDAC11 Q96DB2 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC9 Q9UKV0 2/20 0.36
▸ HDAC5 Q9UQL6 2/20 0.36
▸ ADRB2 P07550 11/20 0.35
▸ ADRB1 P08588 10/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34

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
SCHEMBL23832995 0.96 AAK1 (0.42) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23832993 0.96 AAK1 (0.42) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL22526179 0.96 AAK1 (0.42) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23833098 0.95 AAK1 (0.39) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL22526125 0.95 AAK1 (0.39) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23833191 0.95 AAK1 (0.39) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23833330 0.95 AAK1 (0.40) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23833333 0.95 AAK1 (0.40) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23833128 0.94 AAK1 (0.41) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23833241 0.94 AAK1 (0.41) AAK1HDAC3HDAC4HDAC1HDAC7

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-2021188696-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-09-23 — — WO disclosed
Send feedback