SCHEMBL5175455

SCHEMBL5175455

C=CCOOC(=O)CCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 3/20 0.44
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR3 O14843 3/20 0.32
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
FAAH O00519 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL28662463 0.86 TSHR (0.66) TSHRALDH1A1CES2CES1LMNA
SCHEMBL28631009 0.85 TSHR (0.69) TSHRALDH1A1CES2CES1LMNA
SCHEMBL28109340 0.83 TSHR (0.49) TSHRALDH1A1LMNATDP1HPGD
SCHEMBL30083352 0.83
SCHEMBL8661879 0.79 EGLN1 (0.38) TSHRLMNA
SCHEMBL9799518 0.79 TSHR (0.35) TSHR
Allyl Butanoate SCHEMBL16372404 0.78 TSHR (0.71) TSHRALDH1A1CES2CES1LMNA
Allyl Butanoate SCHEMBL263508 0.78
SCHEMBL28143435 0.77 TSHR (0.69) TSHRALDH1A1CES2CES1LMNA
Allyl Butanoate SCHEMBL28209182 0.77 TSHR (0.69) TSHRALDH1A1CES2CES1LMNA

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
EP-1342738-B1 Photocurable composition, process for producing photocurable resin, and crosslinked product DAINIPPON INK & CHEMICALS (JP) 2007-03-07 EP disclosed
US-6924324-B2 Photocurable composition, process for producing photocurable resin, and crosslinked product DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-08-02 US disclosed
US-20030225180-A1 Photocurable composition, process for producing photocurable resin, and crosslinked product DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-12-04 US disclosed
EP-1342738-A1 Photocurable composition, process for producing photocurable resin, and crosslinked product DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-09-10 EP disclosed