SCHEMBL5133082

SCHEMBL5133082

O=C(O)c1ccccc1OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52
PTK2B Q14289 1/20 0.52
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.44
CYP2C9 P11712 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL25790283 0.95 ALDH1A1 (0.55) ALDH1A1KMT2APTK2BLMNASMN1; SMN2
SCHEMBL25788268 0.83 ALDH1A1 (0.54) ALDH1A1KMT2APTK2BLMNASMN1; SMN2
SCHEMBL5051082 0.82 PLA2G2D (0.33) PTPN11
SCHEMBL25788265 0.82 ALDH1A1 (0.51) ALDH1A1KMT2APTK2BLMNANPC1
SCHEMBL25788261 0.80 ALDH1A1 (0.61) ALDH1A1KMT2APTK2BLMNASMN1; SMN2
SCHEMBL27965133 0.79 ALDH1A1 (0.63) ALDH1A1KMT2APTK2BLMNASMN1; SMN2
SCHEMBL25790284 0.78 ALDH1A1 (0.59) ALDH1A1KMT2APTK2BLMNASMN1; SMN2
SCHEMBL29400029 0.78 ALDH1A1 (0.76) ALDH1A1KMT2APTK2BLMNASMN1; SMN2
SCHEMBL571511 0.78 ALDH1A1 (0.76) ALDH1A1KMT2APTK2BLMNASMN1; SMN2
SCHEMBL8926671 0.78 ALDH1A1 (0.76) ALDH1A1KMT2APTK2BLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539480-A4 FLUORINATED DENDRONS AND SELF-ORGANIZING ULTRAHIGH DENSITY NANOCYLINDER COMPOSITIONS UNIV PENNSYLVANIA (US) 2008-03-12 EP disclosed
EP-1539480-A2 FLUORINATED DENDRONS AND SELF-ORGANIZING ULTRAHIGH DENSITY NANOCYLINDER COMPOSITIONS The Trustees of The University of Pennsylvania (US) 2005-06-15 EP disclosed
WO-2004027078-A2 FLUORINATED DENDRONS AND SELF-ORGANIZING ULTRAHIGH DENSITY NANOCYLINDER COMPOSITIONS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2004-04-01 WO disclosed