SCHEMBL28500491

SCHEMBL28500491

CC(C)CCCCC(=O)[O-].CC(C)CCCCC(=O)[O-].CC(C)CCCCC(=O)[O-].[Al+3]

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.65
NFKB1 P19838 1/20 0.48
BBOX1 O75936 2/20 0.47
KDM4C Q9H3R0 2/20 0.43
KDM4A O75164 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
CA2 P00918 2/20 0.42
FABP3 P05413 2/20 0.41
FFAR3 O14843 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL30557909 0.98 CA1 (0.62) CA1NFKB1BBOX1KDM4CKDM4A
SCHEMBL1925994 0.98 CA1 (0.62) CA1NFKB1BBOX1KDM4CKDM4A
SCHEMBL28587416 0.98 CA1 (0.68) CA1NFKB1BBOX1KDM4CKDM4A
SCHEMBL6553769 0.95 CA1 (0.65) CA1NFKB1BBOX1KDM4CKDM4A
Potassium Ion SCHEMBL11301860 0.95 CA1 (0.65) CA1NFKB1BBOX1KDM4CKDM4A
SCHEMBL15152620 0.95 CA1 (0.65) CA1NFKB1BBOX1KDM4CKDM4A
SCHEMBL15309221 0.95 CA1 (0.65) CA1NFKB1BBOX1KDM4CKDM4A
SCHEMBL21049962 0.95 CA1 (0.65) CA1NFKB1BBOX1KDM4CKDM4A
SCHEMBL21722114 0.95 CA1 (0.65) CA1NFKB1BBOX1KDM4CKDM4A
SCHEMBL4868756 0.95 CA1 (0.65) CA1NFKB1BBOX1KDM4CKDM4A

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
CN-114350190-A Ceramic tile radon-proof coating and preparation method thereof 深圳市奇信集团股份有限公司 2022-04-15 CN disclosed
CN-112174803-A Preparation method of aluminum isooctoate 山东省高密市友和助剂有限公司 2021-01-05 CN disclosed