SCHEMBL18752947

SCHEMBL18752947

O=CCN1CCN(CC=O)CCN(C(CCCNC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)C(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.47
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ PTGS2 P35354 4/20 0.44
▸ TTR P02766 3/20 0.44
▸ ALB P02768 2/20 0.44
▸ PTGS1 P23219 2/20 0.44
▸ AKR1B10 O60218 1/20 0.44
▸ UGT1A9 O60656 1/20 0.44
▸ TRPA1 O75762 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ MT-CO2 P00403 1/20 0.44
▸ CXCL8 P10145 1/20 0.44
▸ UGT1A6 P19224 1/20 0.44
▸ UGT1A1 P22309 1/20 0.44
▸ CXCR1 P25024 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ AGTR2 P50052 1/20 0.44
▸ NR1I3 Q14994 1/20 0.44
▸ SLC22A6 Q4U2R8 1/20 0.44

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
SCHEMBL16386398 1.00 APP (0.47) APPBCHEACHEPTGS2TTR
SCHEMBL12801660 0.94 APP (0.49) APPBCHEACHEPTGS2TTR
SCHEMBL16386151 0.79 MT-CO2 (0.43) PTGS2TTRPTGS1MT-CO2ADRA1A
SCHEMBL16382953 0.74 ALB (0.47) ALBLMNAHIF1A
SCHEMBL11200912 0.73 CA12 (0.59) APPBCHEACHEPTGS2TTR
SCHEMBL12801807 0.72 MT-CO2 (0.48) PTGS2TTRPTGS1MT-CO2ADRA1A
SCHEMBL18752850 0.72 RXFP1 (0.45) ADRA1ATRPV1CYP2C9LMNA
SCHEMBL16382949 0.71 GLI1 (0.47) PTGS2PTGS1CXCL8CXCR1SLC22A6
SCHEMBL16382963 0.71 AKR1C3 (0.55) PTGS1AKR1C3
SCHEMBL25948151 0.70 PTGS2 (0.63) APPBCHEACHEPTGS2TTR

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-1940841-B9 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2017-04-19 — — EP disclosed
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