SCHEMBL16622924

SCHEMBL16622924

CCCCN(CCNC)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA9 Q16790 3/20 0.45
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
EPHX1 P07099 4/20 0.38
ALDH1A1 P00352 1/20 0.36
ALDH2 P05091 1/20 0.36
PRMT3 O60678 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT1 Q99873 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
CA2 P00918 1/20 0.34
DNM1 Q05193 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL1834034 0.88 CA12 (0.41) CA12CA1CA9EPHX1ALDH1A1
SCHEMBL497913 0.85 CA12 (0.58) CA12CA1CA9MMP1MMP2
SCHEMBL17425103 0.84 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL19130987 0.84 CA12 (0.39) CA12CA1CA9MMP1MMP2
SCHEMBL13189333 0.83 KDM4A (0.39) CA12CA1CA9MMP1MMP2
Hydrochloric Acid SCHEMBL3023639 0.83 CA12 (0.56) CA12CA1CA9MMP1MMP2
SCHEMBL22113728 0.82 PRMT3 (0.48) ALDH1A1PRMT3CARM1PRMT6PRMT1
SCHEMBL11812875 0.82 CA12 (0.44) CA12CA1CA9MMP1MMP2
SCHEMBL1832441 0.81 PRMT3 (0.39) CA12CA1CA9MMP1MMP2
SCHEMBL20374807 0.81 KDM4A (0.33) PRMT3CARM1PRMT6PRMT1PRMT8

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
EP-2532649-B1 Amino lipids, their synthesis and uses thereof INCELLA GMBH (DE) 2015-04-08 EP disclosed