SCHEMBL7829853

SCHEMBL7829853

O=C(O)c1cccc2c1oc1c(C(=O)O)cc(I)cc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.46
PTPRF P10586 8/20 0.46
PTPN2 P17706 8/20 0.46
GPR35 Q9HC97 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
DHODH Q02127 1/20 0.40
MAOB P27338 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CDC25B P30305 1/20 0.37
ALOX15 P16050 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL69699 0.84 NR4A1 (0.54) PTPN1PTPRFPTPN2GPR35CYSLTR1
SCHEMBL4160534 0.79 LMNA (0.39) NR4A2ALDH1A1LMNAHPGD
SCHEMBL10949915 0.78 NR4A1 (0.47) PTPN1PTPRFPTPN2GPR35CYSLTR1
SCHEMBL11797746 0.75 TTR (0.51) GPR35CYSLTR1NR4A1NR4A2NR4A3
SCHEMBL783749 0.73 NR4A1 (0.50) PTPN1PTPRFPTPN2GPR35CYSLTR1
SCHEMBL20793652 0.70 GPR35 (0.51) GPR35NR4A1NR4A2NR4A3MAOB
SCHEMBL5577100 0.70 NAPRT (0.50) GPR35CYSLTR1NR4A1NR4A2NR4A3
SCHEMBL11554090 0.70 PTPN1 (0.60) PTPN1PTPRFPTPN2ALDH1A1HPGD
SCHEMBL5323836 0.69 PTPRF (0.50) PTPN1PTPRFPTPN2GPR35ALDH1A1
SCHEMBL9450964 0.69 MEN1 (0.47) PTPN1PTPRFPTPN2GPR35CYSLTR1

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed