SCHEMBL4953172

SCHEMBL4953172

CC[C@H](C)COC(=O)c1ccc(OC(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
ESR1 P03372 3/20 0.54
ESR2 Q92731 2/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 2/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
NR1H2 P55055 1/20 0.53
RNASEL Q05823 1/20 0.53
ADRB2 P07550 3/20 0.52
ADRB1 P08588 3/20 0.52

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
SCHEMBL9456360 1.00 MAPT (0.66) MAPTESR1ESR2CA12CA1
SCHEMBL9511839 0.96 MAPT (0.61) MAPTESR1ESR2CA12CA1
SCHEMBL6937249 0.92 MAPT (0.76) MAPTESR1ESR2CA12CA1
SCHEMBL7130965 0.92 MAPT (0.76) MAPTESR1ESR2CA12CA1
SCHEMBL7130973 0.92 MAPT (0.76) MAPTESR1ESR2CA12CA1
SCHEMBL9638787 0.88 MAPT (0.50) MAPTESR1ESR2CA12CA1
SCHEMBL6936519 0.88 MAPT (0.50) MAPTESR1ESR2CA12CA1
SCHEMBL8377627 0.88 MAPT (0.69) MAPTESR1ESR2CA12CA1
SCHEMBL6934705 0.88 MAPT (0.69) MAPTESR1ESR2CA12CA1
SCHEMBL5368475 0.86 MAPT (0.86) MAPTESR1ESR2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753901-B1 A FILAMENT OR FIBRE KONINKL PHILIPS ELECTRONICS NV (NL) 2008-05-14 EP disclosed
US-20070215836-A1 Filament or Fibre KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2007-09-20 US disclosed
EP-1753901-A1 A FILAMENT OR FIBRE Koninklijke Philips Electronics N.V. (NL) 2007-02-21 EP disclosed
WO-2005113867-A1 A FILAMENT OR FIBRE KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2005-12-01 WO disclosed
EP-0962445-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS INC (JP) 2003-02-26 EP disclosed
US-6217793-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS, INC. (JP) 2001-04-17 US disclosed
EP-0962445-A1 Acetylene compound, liquid crystal composition and liquid crystal element Mitsui Chemicals, Inc. (JP) 1999-12-08 EP disclosed
US-5229032-A Reacting p-aminobenzoic acid with sodium nitrite, then with alkylmercaptane, mineral acids to form alkylthiobenzoic acid, esterification SHOWA DENKO K.K. (JP) 1993-07-20 US disclosed
US-5055225-A High speed response SHOWA DENKO K.K. (JP) 1991-10-08 US disclosed