SCHEMBL3138262

SCHEMBL3138262

C=C(C)C(=O)OC(SCC)c1ccc(-c2ccc(C(OC(=O)C(=C)C)SCC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.36
ACACA Q13085 5/20 0.36
PTGS2 P35354 4/20 0.35
TSHR P16473 3/20 0.33
THRB P10828 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL5014107 0.95 TSHR (0.35) ACACBACACAPTGS2TSHRTHRB
SCHEMBL5015459 0.81 CASP1 (0.38) TSHRTHRBALDH1A1
SCHEMBL3128707 0.80 TSHR (0.32) TSHRTHRB
SCHEMBL8615388 0.72 PTGS2 (0.49) ACACBACACAPTGS2
SCHEMBL10427438 0.72 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL3138274 0.71 EPHX1 (0.38) ACACBACACATSHRALDH1A1
SCHEMBL1695697 0.71 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL9971656 0.71 ELANE (0.44) ACACBACACAPTGS2TSHRALDH1A1
SCHEMBL7563914 0.69 PTGS2 (0.47) ACACBACACAPTGS2TSHRTHRB
SCHEMBL14258939 0.69 TSHR (0.41) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139878-A2 HIGH REFRACTIVE INDEX MONOMERS, COMPOSITIONS AND USES THEREOF BASF SE (DE) 2010-01-06 EP disclosed
WO-2008101806-A2 HIGH REFRACTIVE INDEX MONOMERS, COMPOSITIONS AND USES THEREOF BASF SE (CH) 2008-08-28 WO disclosed
US-20080200582-A1 High refractive index monomers, compositions and uses thereof CIBA CORP. 2008-08-21 US disclosed