SCHEMBL4729690

SCHEMBL4729690

O=C(c1ccccc1)c1cccc(COCc2cccc(C(=O)c3ccccc3)c2C(=O)c2ccccc2)c1C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ AKR1C3 P42330 1/20 0.50
▸ GAA P10253 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MYC P01106 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ LIG1 P18858 1/20 0.42

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
SCHEMBL7865177 0.89 L3MBTL1 (0.54) L3MBTL1AKR1C3GAAMAPTALDH1A1
SCHEMBL4622029 0.81 L3MBTL1 (0.50) L3MBTL1AKR1C3GAAMAPTALDH1A1
SCHEMBL857849 0.80 AKR1C3 (0.67) L3MBTL1AKR1C3GAAMAPTMYC
SCHEMBL14062333 0.79 FOLH1 (0.60) L3MBTL1AKR1C3GAAMAPTMYC
SCHEMBL9358998 0.79 L3MBTL1 (0.52) L3MBTL1AKR1C3GAAMAPTALDH1A1
SCHEMBL9774810 0.78 AKR1C3 (0.64) L3MBTL1AKR1C3GAAMAPTMYC
SCHEMBL14688521 0.77 AKR1C3 (0.58) L3MBTL1AKR1C3GAAMAPTMYC
SCHEMBL11036287 0.77 AKR1C3 (0.61) L3MBTL1AKR1C3GAAMAPTALDH1A1
SCHEMBL1667162 0.77 AKR1C3 (0.61) L3MBTL1AKR1C3GAAMAPTMYC
SCHEMBL24834273 0.76 CYP3A4 (0.46) L3MBTL1AKR1C3GAAMAPTALDH1A1

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-20080213334-A1 Mixture of cationic polymer, anionic polymer and drug, that forms blended coatings and/or hydrogel coatings for controlled release of said drug from medical devices coated with or containing such media Surmodics Coatings, LLC 2008-09-04 — — US disclosed
WO-2008042748-A2 POLYELECTROLYTE MEDIA FOR BIOACTIVE AGENT DELIVERY SURMODICS, INC. (US) 2008-04-10 — — WO disclosed
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