SCHEMBL5349735

SCHEMBL5349735

CCCCCCOc1ccc(-c2ccc(C(=O)OCCC)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.71
TSHR P16473 2/20 0.63
TP53 P04637 1/20 0.63
PLA2G4B P0C869 1/20 0.61
NPC1 O15118 2/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 1/20 0.60
STS P08842 6/20 0.59
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
ESR1 P03372 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
NR1H2 P55055 1/20 0.56

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
SCHEMBL25953790 0.95 RARB (0.73) RARBTSHRTP53PLA2G4BNPC1
SCHEMBL9139675 0.95 RARB (0.73) RARBTSHRTP53PLA2G4BNPC1
SCHEMBL8411319 0.95 RARB (0.73) RARBTSHRTP53PLA2G4BNPC1
SCHEMBL18682284 0.92 RARB (0.68) RARBTSHRTP53PLA2G4BNPC1
SCHEMBL8533567 0.91 RARB (0.71) RARBTSHRTP53PLA2G4BNPC1
SCHEMBL8181561 0.91 RARB (0.71) RARBTSHRTP53PLA2G4BNPC1
SCHEMBL5351127 0.91 RARB (0.71) RARBTSHRTP53PLA2G4BNPC1
SCHEMBL5709874 0.91 NPC1 (0.71) RARBTSHRTP53PLA2G4BNPC1
SCHEMBL8076659 0.91 NPC1 (0.71) RARBTSHRTP53PLA2G4BNPC1
SCHEMBL11345412 0.91 NPC1 (0.71) RARBTSHRTP53PLA2G4BNPC1

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