SCHEMBL8181779

SCHEMBL8181779

CCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1NC(C)=O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.68
RARB P10826 3/20 0.59
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
CREBBP Q92793 1/20 0.52
PLA2G4B P0C869 1/20 0.51
PLA2G2D Q9UNK4 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 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
SCHEMBL8178709 0.91 CREBBP (0.60) PTPN11RARBALDH1A1HPGDTP53
Sebacic Acid SCHEMBL7821806 0.86 CREBBP (0.55) PTPN11ALDH1A1HPGDTP53TSHR
SCHEMBL8181773 0.83 PDE4A (0.51) PTPN11RARBALDH1A1MEN1KMT2A
SCHEMBL8181774 0.83 PDE4A (0.51) PTPN11RARBALDH1A1MEN1KMT2A
SCHEMBL7170306 0.82 PTPN11 (0.73) PTPN11PTPN1PTPN6
SCHEMBL27245972 0.81 PTPN11 (1.00) PTPN11RARBALDH1A1HPGDTP53
SCHEMBL8942999 0.80 PTPN11 (0.74) PTPN11RARBALDH1A1HPGDTP53
SCHEMBL9626774 0.80 PTPN11 (0.74) PTPN11RARBALDH1A1HPGDTP53
SCHEMBL8170029 0.80 PTPN11 (0.74) PTPN11RARBALDH1A1HPGDTP53
SCHEMBL9437162 0.80 PTPN11 (0.74) PTPN11RARBALDH1A1HPGDTP53

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