SCHEMBL21481172

SCHEMBL21481172

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)COCC(=O)N(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.46
▸ CA12 O43570 4/20 0.44
▸ CA1 P00915 4/20 0.44
▸ CA9 Q16790 4/20 0.44
▸ LMNA P02545 1/20 0.42
▸ CA2 P00918 2/20 0.41
▸ CES2 O00748 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ ZDHHC20 Q5W0Z9 2/20 0.38
▸ ZDHHC2 Q9UIJ5 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP8 P22894 1/20 0.36

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
SCHEMBL26764150 0.94 MGLL (0.47) MGLLCA12CA1CA9LMNA
SCHEMBL24178734 0.94 MGLL (0.47) MGLLCA12CA1CA9LMNA
SCHEMBL3268168 0.94 CA12 (0.45) MGLLCA12CA1CA9CA2
SCHEMBL936147 0.94 CA12 (0.45) MGLLCA12CA1CA9CA2
SCHEMBL26764119 0.94 CA12 (0.45) MGLLCA12CA1CA9CA2
SCHEMBL24178779 0.94 CA12 (0.45) MGLLCA12CA1CA9CA2
SCHEMBL935492 0.94 CA12 (0.45) MGLLCA12CA1CA9CA2
SCHEMBL24178687 0.94 CA12 (0.45) MGLLCA12CA1CA9CA2
SCHEMBL29758628 0.94 CA12 (0.45) MGLLCA12CA1CA9CA2
SCHEMBL29758625 0.92 CA12 (0.45) MGLLCA12CA1CA9CA2

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-2019197792-A1 AMPHIPHILIC ASYMMETRICAL DIGLYCOLAMIDES AND USE THEREOF FOR EXTRACTING RARE EARTH METALS FROM ACIDIC AQUEOUS SOLUTIONS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-10-17 — — WO disclosed
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