SCHEMBL7724549

SCHEMBL7724549

O=C(O)c1ccccc1-c1cccc2c1-c1ccccc1[C@@H]2COCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 0.44
EPHX2 P34913 1/20 0.42
MYC P01106 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
FOLH1 Q04609 2/20 0.40
HNF4A P41235 1/20 0.40
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
CYP3A4 P08684 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
SCHEMBL8092638 0.79 HNF4A (0.50) ALDH1A1LMNAMAPTFABP5FABP7
SCHEMBL1934919 0.79 ALDH1A1 (0.43) ALDH1A1LMNAMAPTFABP5FABP7
SCHEMBL16253851 0.76 KMT2A (0.51) ALDH1A1LMNAMAPTFABP5FABP7
SCHEMBL10085227 0.75 ALDH1A1 (0.45) ALDH1A1LMNAMAPTFABP5FABP7
SCHEMBL2730698 0.74 CA1 (0.57) FABP5FABP7EPHX2KMT2ACA1
SCHEMBL18063249 0.74 POLB (0.41) ALDH1A1LMNAMAPTFABP5FABP7
SCHEMBL5089936 0.73 ALDH1A1 (0.66) ALDH1A1LMNAMAPTMYCL3MBTL1
SCHEMBL29901230 0.72 FABP5 (0.59) FABP5FABP7EPHX2KMT2ACA1
SCHEMBL44677 0.72 FABP5 (0.59) FABP5FABP7EPHX2KMT2ACA1
SCHEMBL29381061 0.72 FABP5 (0.59) FABP5FABP7EPHX2KMT2ACA1

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-6403324-B1 INCUBATING TARGET WITH AFFINITY MOLECULE CONTAINING REACTIVE FUNCTIONAL GROUP TO COVALENTLY BOND; RELEASING AFFINITY GROUP ENZYME INHIBITORS; BINDING PROTEIN AGONISTS AND ANTAGONISTS; SCREENING CONJUCHEM, INC. (CA) 2002-06-11 US disclosed