SCHEMBL5347661

SCHEMBL5347661

CCCCCCCCCCCCOc1ccc(-c2ccccc2C(=O)OCCC)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.57
ALDH1A1 P00352 6/20 0.51
RAB9A P51151 5/20 0.51
LMNA P02545 5/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 3/20 0.51
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
KMT2A Q03164 1/20 0.48
RELA Q04206 1/20 0.48
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
XDH P47989 1/20 0.47

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
SCHEMBL7166121 0.89 PTPN11 (0.73) PTPN11ALDH1A1RAB9ALMNANPC1
SCHEMBL5349151 0.83 PTPN11 (0.61) PTPN11ALDH1A1LMNAMAPTTHRA
SCHEMBL10396887 0.79 PLA2G4B (0.47) PTPN11ALDH1A1RAB9ALMNANPC1
SCHEMBL10396889 0.79 PLA2G4B (0.47) PTPN11ALDH1A1RAB9ALMNANPC1
SCHEMBL31325723 0.78 ERN1 (0.54) ALDH1A1RAB9ALMNANPC1SMN1; SMN2
SCHEMBL28274439 0.76 ALDH1A1 (0.63) ALDH1A1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL9453026 0.76 ALDH1A1 (0.70) PTPN11ALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL29000969 0.76 ALDH1A1 (0.70) PTPN11ALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL27675217 0.76 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2MAPTTSHR
SCHEMBL9626821 0.75 PTPN11 (0.68) PTPN11ALDH1A1THRATHRBTSHR

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