SCHEMBL6581624

SCHEMBL6581624

CCC(C)c1c(C(=O)N(C)Cc2ccc3c(Br)c(OCC(Cc4ccccc4)C(=O)OC)ccc3c2)oc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.41
NCEH1 Q6PIU2 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HCRTR1 O43613 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4670237 0.89 PTPN1 (0.42) PTPN1NCEH1MEN1KMT2AHCRTR1
SCHEMBL4670774 0.87 PTPN1 (0.52) PTPN1NCEH1MEN1KMT2AHCRTR1
SCHEMBL4670162 0.82 PTPN1 (0.45) PTPN1NCEH1MEN1KMT2AHCRTR1
SCHEMBL4670612 0.80 PTPN1 (0.55) PTPN1NCEH1HCRTR1RAB9A
SCHEMBL4670153 0.76 PTPN1 (0.55) PTPN1NCEH1HCRTR1RAB9AALDH1A1
SCHEMBL4670772 0.74 PTPN1 (0.53) PTPN1NCEH1ABCG2
SCHEMBL4670236 0.74 PTPN1 (0.46) PTPN1NCEH1MEN1KMT2AHCRTR1
SCHEMBL4670647 0.74 PTPN1 (0.51) PTPN1NCEH1MEN1KMT2ARAB9A
SCHEMBL4670288 0.72 PTPN1 (0.59) PTPN1NCEH1MEN1KMT2AHCRTR1
SCHEMBL4670735 0.72 PTPN1 (0.63) PTPN1NCEH1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397341-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
WO-2003000649-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2003-01-03 WO disclosed