SCHEMBL8200725

SCHEMBL8200725

CCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)c(NC(C)=O)c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.69
RARB P10826 4/20 0.63
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
PLA2G4B P0C869 6/20 0.59
PLA2G4A P47712 1/20 0.54
PLA2G2A P14555 1/20 0.53
NR1H4 Q96RI1 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
SCHEMBL8200723 0.85 PTPN11 (0.50) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL8200724 0.85 PTPN11 (0.50) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9182254 0.83 PTPN11 (0.79) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL5355722 0.83 PTPN11 (0.79) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL8376751 0.83 PTPN11 (0.79) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL27245974 0.82 PTPN11 (1.00) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL7169585 0.82 PTPN11 (0.77) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL8182601 0.81 PTPN11 (0.76) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9229925 0.81 PTPN11 (0.76) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL11632472 0.81 PTPN11 (0.75) PTPN11RARBTP53TSHRPLA2G4B

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-6143208-A Optical element and compounds used in its manufacture ROLIC AG (CH) 2000-11-07 US disclosed
US-5335303-A Quasi-phased matched optical waveguide frequency conversion element having a ferroelectric liquid crystalline material exhibiting a periodic structure HOFFMANN-LA ROCHE INC. (US) 1994-08-02 US disclosed