SCHEMBL25124155

SCHEMBL25124155

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
PDF Q9HBH1 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL18858435 0.87 HDAC6 (0.33) HDAC6
SCHEMBL24525561 0.78 ALDH1A1 (0.40) HDAC6
SCHEMBL25123692 0.76 HDAC6 (0.35) HDAC6
SCHEMBL19883750 0.75 HDAC6 (0.33) HDAC6
SCHEMBL22364736 0.74 CTSK (0.34) HDAC6
SCHEMBL7098466 0.74 HDAC6 (0.38) HDAC6
SCHEMBL25123985 0.73 CA14 (0.40) HDAC6TSHR
SCHEMBL25925036 0.73 CA1 (0.35) HDAC6
SCHEMBL24448638 0.72 DPP4 (0.37) HDAC6TDP1TSHR
SCHEMBL20247628 0.72 HDAC6 (0.33) HDAC6

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-2023055920-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2023-04-06 WO disclosed