SCHEMBL9503768

SCHEMBL9503768

COC(=O)C(CC(=O)c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.68
GSK3B P49841 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
LDHA P00338 1/20 0.50
LDHB P07195 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
NPC1 O15118 2/20 0.49
MEN1 O00255 2/20 0.49

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
SCHEMBL6390486 0.84 L3MBTL1 (0.48) L3MBTL1LDHALDHBALDH1A1KMT2A
SCHEMBL8585874 0.84 FFAR1 (0.52) L3MBTL1KMT2ATDP1LMNAGAA
SCHEMBL8699595 0.83 KMT2A (0.61) L3MBTL1ALDH1A1KMT2ANPC1MEN1
SCHEMBL22281426 0.82 GSK3B (0.61) L3MBTL1GSK3BHDAC3HDAC4HDAC1
SCHEMBL25241435 0.80 GPR88 (0.51) L3MBTL1LDHALDHBKMT2AMEN1
SCHEMBL27146207 0.80 AKR1C3 (0.54) L3MBTL1ALDH1A1KMT2ATDP1MEN1
SCHEMBL5161471 0.80 L3MBTL1 (0.64) L3MBTL1GSK3BALDH1A1KMT2ATDP1
SCHEMBL9148324 0.80 L3MBTL1 (0.73) L3MBTL1ALDH1A1KMT2ATDP1NPC1
SCHEMBL11522648 0.80 L3MBTL1 (0.61) L3MBTL1GSK3BHDAC3HDAC4HDAC1
SCHEMBL7976858 0.80 L3MBTL1 (0.61) L3MBTL1GSK3BALDH1A1KMT2ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331073-B1 BENZHYDRYLAMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1993-07-28 EP disclosed
US-5051526-A Reagents for solid phase synthesis of polypeptides CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1991-09-24 US disclosed
US-4965405-A INTERMEDIATE FOR POLYPEPTIDE SYNTHESIS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1990-10-23 US disclosed
EP-0331073-A2 Benzhydrylamine derivatives Chugai Seiyaku Kabushiki Kaisha (JP) 1989-09-06 EP disclosed