SCHEMBL27680893

SCHEMBL27680893

COC(=O)C[C@@H](CCc1ccccc1)C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CTSG P08311 1/20 0.46
CTRB1 P17538 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MMP12 P39900 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ABCB1 P08183 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL27680894 1.00 KMT2A (0.51) KMT2ATSHRSMN1; SMN2CTSGCTRB1
SCHEMBL7899184 0.91 KMT2A (0.49) KMT2A
SCHEMBL1405655 0.89 KMT2A (0.53) KMT2ATSHRSMN1; SMN2MMP12
SCHEMBL9555874 0.89 KMT2A (0.53) KMT2ATSHRSMN1; SMN2MMP12
SCHEMBL9574058 0.87 CTSK (0.46) KMT2ATSHRSMN1; SMN2CTSGCTRB1
SCHEMBL4831220 0.87 CTSK (0.46) KMT2ATSHRSMN1; SMN2CTSGCTRB1
SCHEMBL28325731 0.85 KMT2A (0.74) KMT2ATSHRSMN1; SMN2CTSGCTRB1
SCHEMBL7506768 0.84 KMT2A (0.54) KMT2AMEN1ALDH1A1ABCB1
SCHEMBL9755831 0.84 KMT2A (0.54) KMT2AMEN1ALDH1A1ABCB1
SCHEMBL1856103 0.84 CA1 (0.51) KMT2ATSHRSMN1; SMN2MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100467479-C Phosphine-phosphoramidite ligand, its preparation method and uses DALIAN CHEMICAL PHYSICS INST (CN) 2009-03-11 CN disclosed
CN-1951945-A Phosphine-phosphoramidite ligand, its preparation method and uses DALIAN CHEMICAL PHYSICS INST (CN) 2007-04-25 CN disclosed
CN-1951946-A Chiral monodentate phosphite ligands, its preparation method and uses DALIAN CHEMICAL PHYSICS INST (CN) 2007-04-25 CN disclosed