SCHEMBL16215971

SCHEMBL16215971

CCCCOc1c(-c2cccc(C(=O)O)c2)cccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.55
PLA2G4B P0C869 2/20 0.50
NR1H4 Q96RI1 2/20 0.47
HCAR3 P49019 2/20 0.45
XDH P47989 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ERN1 O75460 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43

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
SCHEMBL1705873 0.83 TPMT (0.50) ALDH1A1ERN1AKR1C3AKR1C2AKR1C1
SCHEMBL16207603 0.83 PTGER1 (0.60) NR1H4KMT2AMEN1ALDH1A1
SCHEMBL30008748 0.83 PTGER1 (0.60) NR1H4KMT2AMEN1ALDH1A1
SCHEMBL28669741 0.77 ALDH1A1 (0.64) HCAR3ALDH1A1ERN1AKR1C3AKR1C2
SCHEMBL12765327 0.76 PTPN11 (0.52) PTPN11NR1H4
SCHEMBL1749792 0.75 PLA2G4B (0.74) PLA2G4BHCAR3XDHALDH1A1AKR1C3
SCHEMBL30923227 0.75 MAPT (0.48) PTPN11PLA2G4BKMT2AMEN1ALDH1A1
SCHEMBL408308 0.75 ERN1 (0.59) ALDH1A1ERN1AKR1C3AKR1C2AKR1C1
SCHEMBL31415060 0.75 ERN1 (0.59) ALDH1A1ERN1AKR1C3AKR1C2AKR1C1
SCHEMBL18202850 0.74 NPC1 (0.41) XDHKMT2AMEN1ALDH1A1

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
WO-2014177517-A1 PREPARATION PROCESS OF AN AGONIST OF THE THROMBOPOIETIN RECEPTOR Esteve Química, S.A. (ES) 2014-11-06 WO disclosed
EP-2799425-A1 Preparation process of an agonist of the thrombopoietin receptor Esteve Química, S.A. (ES) 2014-11-05 EP disclosed