SCHEMBL11116595

SCHEMBL11116595

C=C(C)C(=O)OC.C=C(C)C(=O)OCC=CC=CC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.36
SOAT1 P35610 1/20 0.33
CNR2 P34972 3/20 0.30
CNR1 P21554 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 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
SCHEMBL934759 0.93 TSHR (0.42) ALDH1A1TSHRTHRBSOAT1CNR2
SCHEMBL11116608 0.93 TSHR (0.42) ALDH1A1TSHRTHRBSOAT1CNR2
SCHEMBL934760 0.93 TSHR (0.42) ALDH1A1TSHRTHRBSOAT1CNR2
SCHEMBL11118848 0.89 TSHR (0.51) ALDH1A1TSHRTHRBSOAT1
SCHEMBL453100 0.80 TSHR (0.47) ALDH1A1TSHRTHRB
SCHEMBL7521766 0.80 TSHR (0.47) ALDH1A1TSHRTHRB
SCHEMBL10413688 0.78 ALDH1A1 (0.68) ALDH1A1TSHRTHRB
SCHEMBL10697761 0.78 ALDH1A1 (0.68) ALDH1A1TSHRTHRB
SCHEMBL5654625 0.78 TSHR (0.52) ALDH1A1TSHRTHRB
SCHEMBL1636583 0.78 TSHR (0.52) ALDH1A1TSHRTHRB

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-0041396-B1 DIENYL METHACRYLATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-21 EP disclosed
EP-0041396-A2 Dienyl methacrylates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-09 EP disclosed
US-4293674-A Dienyl methacrylates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-10-06 US disclosed