SCHEMBL5008753

SCHEMBL5008753

C=CCO/C(C(=O)O)=C(/O)CCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
CYP3A4 P08684 1/20 0.34
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL5008755 0.74 TSHR (0.47) TSHRCYP3A4FFAR3HDAC3HDAC1
Allyl Butanoate SCHEMBL263508 0.74
Allyl Butanoate SCHEMBL16372404 0.74 TSHR (0.71) TSHRCYP3A4TDP1PKMSMN1; SMN2
SCHEMBL6920650 0.74 TSHR (0.44) TSHRCYP3A4FFAR3HDAC3HDAC1
SCHEMBL20819805 0.73 TSHR (0.46) TSHRCYP3A4FFAR3HDAC3HDAC1
Allyl Butanoate SCHEMBL28209182 0.72 TSHR (0.69) TSHRCYP3A4TDP1PKMSMN1; SMN2
Allyl Butanoate SCHEMBL28052527 0.69 TSHR (0.65) TSHRCYP3A4TDP1PKMSMN1; SMN2
Allyl Butanoate SCHEMBL8469685 0.69 TSHR (0.65) TSHRCYP3A4TDP1PKMSMN1; SMN2
Allyl Butanoate SCHEMBL4955044 0.69 TSHR (0.65) TSHRCYP3A4TDP1PKMSMN1; SMN2
SCHEMBL4698282 0.69 TSHR (0.50) TSHRCYP3A4FFAR3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963402-A2 PROCESS FOR THE PRODUCTION OF MONODISPERSE AND NARROW DISPERSE MONOFUNCTIONAL SILICONES Johnson and Johnson Vision Care, Inc. (US) 2008-09-03 EP claimed
US-20060229423-A1 Process for the production of monodisperse and narrow disperse monofunctional silicones JOHNSON & JOHNSON VISION CARE, INC. 2006-10-12 US claimed
WO-2006102050-A2 PROCESS FOR THE PRODUCTION OF MONODISPERSE AND NARROW DISPERSE MONOFUNCTIONAL SILICONES JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-09-28 WO claimed
EP-1963402-A2 PROCESS FOR THE PRODUCTION OF MONODISPERSE AND NARROW DISPERSE MONOFUNCTIONAL SILICONES Johnson and Johnson Vision Care, Inc. (US) 2008-09-03 EP disclosed
US-20060229423-A1 Process for the production of monodisperse and narrow disperse monofunctional silicones JOHNSON & JOHNSON VISION CARE, INC. 2006-10-12 US disclosed
WO-2006102050-A2 PROCESS FOR THE PRODUCTION OF MONODISPERSE AND NARROW DISPERSE MONOFUNCTIONAL SILICONES JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-09-28 WO disclosed