SCHEMBL9345658

SCHEMBL9345658

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.40
P4HTM Q9NXG6 4/20 0.40
MEN1 O00255 1/20 0.39
AHR P35869 1/20 0.39
HCAR3 P49019 1/20 0.39
P4HA1 P13674 1/20 0.39
MIF P14174 1/20 0.39
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL9345683 0.88 MAPK1 (0.53) MAPK1KDM4EL3MBTL1KMT2ANPC1
SCHEMBL9343294 0.85 MAPK1 (0.50) MAPK1KDM4EL3MBTL1KMT2AP4HTM
SCHEMBL9342427 0.79 MAPK1 (0.54) MAPK1KDM4EL3MBTL1KMT2ANPC1
SCHEMBL9303366 0.79 KMT2A (0.60) KMT2ANPC1MEN1
SCHEMBL9304053 0.79 KMT2A (0.60) KMT2ANPC1MEN1
SCHEMBL29508473 0.77 MAPK1 (1.00) MAPK1KDM4EL3MBTL1KMT2ANPC1
SCHEMBL69747 0.77 MAPK1 (1.00) MAPK1KDM4EL3MBTL1KMT2ANPC1
SCHEMBL9733449 0.76 CA1 (0.65) MAPK1KMT2AMEN1
SCHEMBL9733455 0.76 CA1 (0.65) MAPK1KMT2AMEN1
SCHEMBL7276184 0.75 MAPK1 (0.49) MAPK1KDM4EL3MBTL1KMT2ANPC1

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