SCHEMBL5014107

SCHEMBL5014107

C=C(C)C(=O)OC(SCC)c1ccc(C(OC(=O)C(=C)C)SCC)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
ELANE P08246 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
PTGS2 P35354 1/20 0.31
ACACB O00763 3/20 0.31
ESR1 P03372 1/20 0.30
HIF1A Q16665 1/20 0.30
ACACA Q13085 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
SCHEMBL3138262 0.95 ACACB (0.36) TSHRALDH1A1THRBPTGS2ACACB
SCHEMBL5015459 0.85 CASP1 (0.38) TSHRALDH1A1THRBELANE
SCHEMBL3128707 0.84 TSHR (0.32) TSHRTHRB
SCHEMBL10427438 0.76 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL1695697 0.74 TSHR (0.44) TSHRALDH1A1THRB
SCHEMBL7563914 0.72 PTGS2 (0.47) TSHRALDH1A1THRBBCHEACHE
SCHEMBL14258939 0.72 TSHR (0.41) TSHRALDH1A1ELANEPOLBAPEX1
SCHEMBL9489001 0.71 TSHR (0.37) TSHRALDH1A1THRBELANEPOLB
SCHEMBL28119927 0.71 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL18372571 0.69 ESR1 (0.47) TSHRALDH1A1ELANETDP1ESR1

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-20080200582-A1 High refractive index monomers, compositions and uses thereof CIBA CORP. 2008-08-21 US disclosed
EP-0940694-B1 Photochromic curable composition TOKUYAMA CORP (JP) 2002-08-14 EP disclosed
US-6194511-B1 COMPRISING POLYMERIZABLE MONOMER CONTAINING SULFUR-CONTAINING (METH)ACRYLATE POLYMERIZABLE MONOMER AND PHOTOCHROMIC COMPOUND TOKUYAMA CORPORATION (JP) 2001-02-27 US disclosed
EP-0940694-A1 Photochromic curable composition TOKUYAMA CORPORATION (JP) 1999-09-08 EP disclosed