SCHEMBL29664006

SCHEMBL29664006

CC(C)CCCCCCCCCCC(CCCCCCCCCCC(C)C)(C(=O)O)C(C(=O)O)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
BLM P54132 1/20 0.35
KDM4C Q9H3R0 2/20 0.33
KDM4A O75164 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
ACLY P53396 1/20 0.31
ACE2 Q9BYF1 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
SCHEMBL29723284 1.00 ACACB (0.40) ACACBACACABLMKDM4CKDM4A
SCHEMBL3144645 0.95 BLM (0.38) ACACBACACABLM
SCHEMBL8622704 0.88 ACE2 (0.36) ACACBACACABLMACE2
SCHEMBL3136377 0.87 BLM (0.32) ACACBACACABLM
SCHEMBL9645076 0.84 GPR84 (0.38) BLM
SCHEMBL8529065 0.84 GPR84 (0.38) BLM
SCHEMBL7152068 0.84 GPR84 (0.38) BLM
SCHEMBL930252 0.84 GPR84 (0.38) BLM
SCHEMBL30880240 0.84 GPR84 (0.38) BLM
SCHEMBL5137836 0.84 GPR84 (0.38) BLM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4259869-A1 TEXTILE SHEET MATERIAL Wacker Chemie AG (DE) 2023-10-18 EP disclosed
WO-2022122120-A1 TEXTILE SHEET MATERIAL WACKER CHEMIE AG (DE) 2022-06-16 WO disclosed