SCHEMBL7468481

SCHEMBL7468481

O=C(CNC(Cc1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
MME P08473 2/20 0.50
ACE P12821 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PTPN1 P18031 1/20 0.48
NAALAD2 Q9Y3Q0 1/20 0.48
MDM2 Q00987 1/20 0.47
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
CES1 P23141 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MMP2 P08253 3/20 0.47

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
SCHEMBL17944509 1.00 SIGMAR1 (0.51) SIGMAR1MMEACENPSR1PTPN1
SCHEMBL17943865 0.87 SIGMAR1 (0.49) SIGMAR1MMEACEMDM2CYP1A2
SCHEMBL11764962 0.86 PLOD2 (0.56) MEN1CYP3A4KMT2ASMN1; SMN2TDP1
SCHEMBL7473135 0.86 FPR2 (0.58) MAPTALOX15KMT2AMMP2MMP9
SCHEMBL11764959 0.86 PLOD2 (0.56) MEN1CYP3A4KMT2ASMN1; SMN2TDP1
SCHEMBL547297 0.84 NAALAD2 (0.55) MMENPSR1NAALAD2CYP1A2MMP2
SCHEMBL1272029 0.84 NAALAD2 (0.55) MMENPSR1NAALAD2CYP1A2MMP2
SCHEMBL547710 0.84 NAALAD2 (0.55) MMENPSR1NAALAD2CYP1A2MMP2
SCHEMBL17693619 0.84 CA1 (0.50) MMEACEKDM4EMEN1ALOX15
SCHEMBL9340320 0.83 NAALAD2 (0.54) MMENPSR1NAALAD2CYP1A2MMP2

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-1153050-A4 AMINO-KETONE SOLID SUPPORT TEMPLATES ADVANCED SYNTECH LLC (US) 2002-11-27 EP disclosed
EP-1153050-A1 AMINO-KETONE SOLID SUPPORT TEMPLATES Advanced syntech, LLC (US) 2001-11-14 EP disclosed
US-6117940-A SOLID PHASE SYNTHESIS OF COMPOUNDS SUCH AS THE IMIDAZOLES, BENZODIAZEPINES, PYRAZINES, AND STEROID MIMICS. ADVANCED SYNTECH, LLC, A KENTUCKY LIMITED LIABILITY CORPORATION 2000-09-12 US disclosed
WO-2000023487-A1 AMINO-KETONE SOLID SUPPORT TEMPLATES ADVANCED SYNTECH, LLC (US) 2000-04-27 WO disclosed