SCHEMBL7712892

SCHEMBL7712892

CCOC(=O)C(C(=O)OCC)N(Cc1ccc(NC(CC)CC)cc1)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AURKA O14965 1/20 0.34
NTRK1 P04629 1/20 0.34
HPGD P15428 1/20 0.34
MME P08473 1/20 0.34
ACE P12821 1/20 0.34

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
SCHEMBL6781095 0.84 ALDH1A1 (0.42) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL11600743 0.84 MAPT (0.48) ALDH1A1LMNAHSD17B10MAPTTP53
SCHEMBL7720050 0.81 ALDH1A1 (0.35) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL6782412 0.80 LMNA (0.45) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL27475763 0.79 L3MBTL1 (0.60) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL6774233 0.79 MAPT (0.39) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL6774973 0.77 RAB9A (0.43) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL7619436 0.76 NSD2 (0.44) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL11601588 0.75 MAPT (0.46) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL6774510 0.74 ALDH1A1 (0.45) ALDH1A1L3MBTL1LMNAPOLBHSD17B10

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
US-6384014-B1 ANTIBIOTICS AS BACTERICIDES AVENTIS PHARMA S.A. (FR) 2002-05-07 US disclosed