SCHEMBL4675571

SCHEMBL4675571

CCCCc1oc2ccccc2c1C(=O)NCc1ccc2c(-c3ccccc3)c(OCC(=O)O)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.59
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
NR1H4 Q96RI1 1/20 0.44
SIRT3 Q9NTG7 5/20 0.44
EYA3 Q99504 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
SCHEMBL4670488 0.89 PTPN1 (0.73) PTPN1THRATHRBNR1H4SIRT3
SCHEMBL4670720 0.86 PTPN1 (0.58) PTPN1THRATHRBNR1H4SIRT3
SCHEMBL4670211 0.82 PTPN1 (0.63) PTPN1THRATHRBNR1H4SIRT3
SCHEMBL3971361 0.82 PTPN1 (0.54) PTPN1THRATHRBNR1H4SIRT3
SCHEMBL4670382 0.81 PTPN1 (0.59) PTPN1
SCHEMBL4672989 0.80 PTPN1 (0.59) PTPN1
SCHEMBL4673205 0.80 NR1H4 (0.40) PTPN1NR1H4SIRT3
SCHEMBL4673820 0.80 PTPN1 (0.53) PTPN1NR1H4SIRT3
SCHEMBL4670406 0.80 PTPN1 (0.53) PTPN1NR1H4SIRT3
SCHEMBL7038911 0.79 PTPN1 (0.43) PTPN1NR1H4SIRT3EYA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP claimed