SCHEMBL5348288

SCHEMBL5348288

CCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.55
PTPN11 Q06124 1/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
RECQL P46063 1/20 0.55
PLA2G4B P0C869 1/20 0.55
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
PRSS1 P07477 4/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
NFKB2 Q00653 1/20 0.48
KMT2A Q03164 1/20 0.48
RELA Q04206 1/20 0.48

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
SCHEMBL5343331 0.91 PTPN11 (0.68) XDHPTPN11PLA2G4BTHRATHRB
SCHEMBL9626727 0.91 PTPN11 (0.68) XDHPTPN11PLA2G4BTHRATHRB
SCHEMBL9627241 0.91 PTPN11 (0.68) XDHPTPN11PLA2G4BTHRATHRB
SCHEMBL8176761 0.91 PTPN11 (0.68) XDHPTPN11PLA2G4BTHRATHRB
SCHEMBL9626821 0.91 PTPN11 (0.68) XDHPTPN11PLA2G4BTHRATHRB
SCHEMBL177201 0.89 PLA2G4B (0.65) MAPTPLA2G4BTHRATHRBPRSS1
SCHEMBL7692445 0.83 XDH (0.52) XDHMAPTPLA2G4BALDH1A1SRD5A2
SCHEMBL7692446 0.83 XDH (0.52) XDHMAPTPLA2G4BALDH1A1SRD5A2
SCHEMBL1749792 0.83 PLA2G4B (0.74) XDHMAPTPLA2G4BTHRATHRB
SCHEMBL27403163 0.83 PLA2G4B (0.74) PTPN11LMNAMAPTPLA2G4BTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186448-B2 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2007-03-06 US disclosed
US-20060275939-A1 Composition and method for temporarily fixing solids JSR CORPORATION (JP) 2006-12-07 US disclosed
EP-1522567-A1 COMPOSITION AND METHOD FOR TEMPORARILY FIXING SOLID JSR Corporation (JP) 2005-04-13 EP disclosed
US-20040185187-A1 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2004-09-23 US disclosed