SCHEMBL7607973

SCHEMBL7607973

COc1c(NC(=O)OC(C)(C)C)cccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.52
RXFP1 Q9HBX9 1/20 0.47
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
BRD9 Q9H8M2 1/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
APEX1 P27695 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
METAP1 P53582 1/20 0.39
MAPT P10636 2/20 0.39
HCAR2 Q8TDS4 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL30505232 0.85 MEN1 (0.48) CASRRXFP1KMT2AALDH1A1MEN1
SCHEMBL222446 0.83 RXFP1 (0.55) RXFP1KMT2AMEN1LMNABRD9
SCHEMBL29702265 0.83 RXFP1 (0.55) RXFP1KMT2AMEN1LMNABRD9
SCHEMBL5812852 0.82 KDM4E (0.51) CASRRXFP1KMT2AALDH1A1MEN1
SCHEMBL3248129 0.82 NPC1 (0.54) RXFP1KMT2AALDH1A1MEN1LMNA
SCHEMBL1097144 0.82 BRD4 (0.49) RXFP1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL30087033 0.82 HSP90AA1 (0.45) RXFP1KMT2AALDH1A1MEN1LMNA
SCHEMBL14877164 0.81 RXFP1 (0.48) RXFP1KMT2AMEN1LMNAHTT
SCHEMBL25527678 0.81 RAB9A (0.44) RXFP1KMT2AALDH1A1MEN1LMNA
SCHEMBL6183442 0.81 PDK1 (0.59) RXFP1KMT2AMEN1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920413-B1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX INC (US) 2002-11-13 EP disclosed
EP-0920413-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX, INC. (US) 1999-06-09 EP disclosed
US-5877297-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-03-02 US disclosed
US-5872224-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-02-16 US disclosed
US-5869623-A Boronic compound complexing reagents and complexes SYSTEMIX (US) 1999-02-09 US disclosed
US-5859210-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1999-01-12 US disclosed
US-5847192-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1998-12-08 US disclosed
US-5837878-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-11-17 US disclosed
US-5777148-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-07-07 US disclosed
US-5744627-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1998-04-28 US disclosed
WO-1998005629-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX, INC. (US) 1998-02-12 WO disclosed