SCHEMBL12231522

SCHEMBL12231522

C=C(C)C(=O)NCCCCC(=O)OCC(=O)CC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PAM P19021 2/20 0.38
▸ DGKA P23743 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ EPHX2 P34913 6/20 0.36
▸ FAAH O00519 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PLA2G2A P14555 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ADRA1A P35348 1/20 0.33
▸ ACHE P22303 1/20 0.33

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
SCHEMBL10081657 0.84 ALDH1A1 (0.50) DGKAALDH1A1NAMPTEPHX2
SCHEMBL10080728 0.83 EPHX2 (0.50) DGKAALDH1A1NAMPTEPHX2KMT2A
SCHEMBL7568085 0.80 PAM (0.49) PAMDGKAALDH1A1EPHX2PLA2G2A
SCHEMBL27780836 0.80 CYP1A2 (0.47) ALDH1A1EPHX2
SCHEMBL12332685 0.79 TSHR (0.50) ALDH1A1EPHX2ADRA1A
SCHEMBL11312957 0.79 PAM (0.55) PAMDGKAALDH1A1MEN1KMT2A
SCHEMBL23269433 0.78 EPHX2 (0.49) ALDH1A1EPHX2PLA2G2AADRA1A
SCHEMBL12332686 0.78 EPHX2 (0.49) ALDH1A1EPHX2PLA2G2AADRA1A
SCHEMBL10912888 0.78 EPHX2 (0.50) DGKAEPHX2L3MBTL1ADRA1AACHE
SCHEMBL19528803 0.77 CYP1A2 (0.44) ALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8978554-B2 Alkali soluble resin AGFA GRAPHICS N.V. (BE) 2015-03-17 — — US disclosed
US-20110247516-A1 New Alkali Soluble Resin AGFA GRAPHICS NV (BE) 2011-10-13 — — US disclosed
EP-2213690-A1 A new alkali soluble resin Agfa Graphics N.V. (BE) 2010-08-04 — — EP disclosed
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