SCHEMBL7361249

SCHEMBL7361249

CC(C)(C)OC(=O)N(Cc1ccc(C(=N)NC(=O)OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
SYK P43405 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
BACE1 P56817 4/20 0.43
MASP2 O00187 2/20 0.42
AKT1 P31749 2/20 0.41
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
F2 P00734 2/20 0.41
PLG P00747 2/20 0.41
PLAU P00749 2/20 0.41
PLAT P00750 2/20 0.41
KLK8 O60259 1/20 0.41
F10 P00742 1/20 0.41

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
SCHEMBL7350811 0.89 SMN1; SMN2 (0.45) HDAC3HDAC1HDAC2NCOR2SYK
SCHEMBL7944753 0.85 BACE1 (0.46) HDAC3HDAC1HDAC2NCOR2SYK
SCHEMBL30386744 0.84 ITGA4 (0.41) HDAC3HDAC1HDAC2NCOR2SYK
SCHEMBL27545723 0.83 SMN1; SMN2 (0.49) SYKSMN1; SMN2MASP2PPARAPPARG
SCHEMBL25054127 0.82 SYK (0.55) HDAC3HDAC1HDAC2SYKMASP2
SCHEMBL8269064 0.80 SYK (0.52) HDAC3HDAC1HDAC2SYKMASP2
SCHEMBL23511587 0.79 RAB9A (0.51) SMN1; SMN2MASP2PPARAPPARGMEN1
SCHEMBL7296828 0.79 ACE (0.58) PPARAPPARG
SCHEMBL14161303 0.79 MAPT (0.54) SMN1; SMN2MASP2PPARAPPARGLMNA
SCHEMBL5846695 0.79 HDAC1 (0.43) HDAC3HDAC1HDAC2NCOR2AKT1

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
US-6228854-B1 1-BENZAZEPINE DERIVATIVE ANTICOAGULANTS; STROKE PREVENTION COR THERAPEUTICS, INC. 2001-05-08 US disclosed
EP-0994894-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 2000-04-26 EP disclosed
WO-1999007731-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 1999-02-18 WO disclosed