SCHEMBL7166121

SCHEMBL7166121

CCCCCCCOc1ccc(-c2ccccc2C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.73
XDH P47989 1/20 0.54
PLA2G4B P0C869 1/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
NFKB2 Q00653 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL5347661 0.89 PTPN11 (0.57) PTPN11XDHPLA2G4BNPC1RAB9A
SCHEMBL27245989 0.85 PTPN11 (1.00) PTPN11LMNAMAPTMEN1KMT2A
SCHEMBL6421561 0.85 PTPN11 (0.55) PTPN11XDHPLA2G4BNPC1RAB9A
SCHEMBL8922483 0.85 PTPN11 (0.55) PTPN11XDHPLA2G4BNPC1RAB9A
SCHEMBL3195027 0.85 PTPN11 (0.55) PTPN11XDHPLA2G4BNPC1RAB9A
SCHEMBL9626821 0.82 PTPN11 (0.68) PTPN11XDHPLA2G4BALDH1A1THRA
SCHEMBL9626727 0.82 PTPN11 (0.68) PTPN11XDHPLA2G4BALDH1A1THRA
SCHEMBL9627241 0.82 PTPN11 (0.68) PTPN11XDHPLA2G4BALDH1A1THRA
SCHEMBL7170404 0.82 PTPN11 (0.80) PTPN11ALDH1A1LMNAMAPTTHRA
SCHEMBL5343331 0.82 PTPN11 (0.68) PTPN11XDHPLA2G4BALDH1A1THRA

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
US-6569504-B1 Dimers of LC-like compounds in which the monomers are linked to each other through a high birefringence moiety (dimerization linker) DISPLAYTECH, INC. 2003-05-27 US disclosed
US-6139771-A USEFUL IN ELECTOOPTICAL AND NON-LINEAR OPTICAL APPLICATIONS DISPLAYTECH, INC. (US) 2000-10-31 US disclosed