SCHEMBL9345683

SCHEMBL9345683

CC(C)OC(=O)C(C)OC(=O)c1ccc(C(=O)OC(C)C(=O)OC(C)C)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
P4HA1 P13674 1/20 0.39

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
SCHEMBL9345658 0.88 MAPK1 (0.61) MAPK1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL9343294 0.85 MAPK1 (0.50) MAPK1KDM4EL3MBTL1CA12CA1
SCHEMBL9343325 0.78 JMJD6 (0.48) KDM4ECA12CA1CA2CA7
SCHEMBL7356957 0.77 MAPK1 (0.51) MAPK1KDM4EL3MBTL1CA12CA1
SCHEMBL20443622 0.77 PDCD1 (0.66) L3MBTL1CA12CA1CA2CA7
SCHEMBL9733667 0.76 CA12 (0.76) MAPK1CA12CA1CA2CA7
SCHEMBL9733673 0.76 CA12 (0.76) MAPK1CA12CA1CA2CA7
SCHEMBL7276184 0.75 MAPK1 (0.49) MAPK1KDM4EL3MBTL1CA12CA1
SCHEMBL9944378 0.72 HDAC1 (0.56) MAPK1L3MBTL1CA12CA1CA2
SCHEMBL10309728 0.72 ALDH1A1 (0.44) MAPK1KDM4ECA12CA1CA2

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
US-5364873-A Influencing metabolism of collagen HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed
US-5238948-A Influence metabolism of collagen or biosynthesis of C1q HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-24 US disclosed