SCHEMBL20406809

SCHEMBL20406809

C=CCOCCC(CCOCC=C)(CC(=O)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL5436260 0.82 ABCC4 (0.33) ALDH1A1
SCHEMBL15845038 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11482879 0.77 THRB (0.33) MEN1POLBKMT2A
Citric Acid SCHEMBL11571650 0.76 ALDH1A1 (0.56) MEN1POLBKMT2AALDH1A1
SCHEMBL1301903 0.76 ALDH1A1 (0.38) MEN1KMT2AALDH1A1
SCHEMBL11482885 0.74 L3MBTL1 (0.33) MEN1POLBKMT2A
SCHEMBL10322965 0.73 ALDH1A1 (0.39) ALDH1A1
SCHEMBL3689750 0.73 ALDH1A1 (0.39) ALDH1A1
SCHEMBL2044696 0.73 CYP2D6 (0.34) ALDH1A1
Citric Acid SCHEMBL411716 0.72 ALDH1A1 (0.60) MEN1KMT2AALDH1A1

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-2018134291-A1 ANTIFOULING COMPOSITION JOTUN A/S (NO) 2018-07-26 WO disclosed