SCHEMBL30569657

SCHEMBL30569657

CCCCC(C(=O)O)C(O)(C(=O)O)C(CCCC)(CCCC)C(=O)OC(C)=O.CCCCC(CCCC)(C(=O)O)C(O)(C(=O)O)C(CCCC)(C(C)=O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSPD1 P10809 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32

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
SCHEMBL29395981 0.88 HSPD1 (0.40) MEN1HPGDRECQLKMT2AHSD17B10
SCHEMBL1919939 0.78 HSPD1 (0.43) MEN1HPGDRECQLKMT2AHSD17B10
SCHEMBL124006 0.78
SCHEMBL588170 0.76 HSPD1 (0.46) MEN1HPGDRECQLKMT2AHSD17B10
SCHEMBL30356351 0.75 FDPS (0.33)
SCHEMBL3376091 0.74 FDPS (0.34)
1-Pentanol SCHEMBL31490162 0.74 HSPD1 (0.43) MEN1HPGDRECQLKMT2AHSD17B10
Ether SCHEMBL31356987 0.73 HSPD1 (0.41) MEN1HPGDRECQLKMT2AHSD17B10
SCHEMBL9953932 0.73 FDPS (0.36) MEN1KMT2AHSD17B10
SCHEMBL9956038 0.73 FDPS (0.36) MEN1KMT2AHSD17B10

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
US-20230301895-A1 NAIL FORMULATIONS AND TREATMENT REGIMES NOVABIOTICS LIMITED (GB) 2023-09-28 US disclosed