SCHEMBL11654877

SCHEMBL11654877

C=C(C)C(=O)OCCOCCOCCOc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ GAA P10253 5/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ TSHR P16473 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL11668060 1.00 THRB (0.45) THRBTDP1POLBAPEX1HTT
SCHEMBL11648102 0.96 TDP1 (0.44) THRBTDP1POLBAPEX1HTT
SCHEMBL11655697 0.84 THRB (0.42) THRBTDP1POLBAPEX1HTT
SCHEMBL11646076 0.84 THRB (0.45) THRBTDP1HTTGAAALDH1A1
SCHEMBL11667997 0.84 THRB (0.45) THRBTDP1HTTGAAALDH1A1
SCHEMBL11655278 0.83 HTT (0.43) THRBTDP1POLBAPEX1HTT
SCHEMBL11652388 0.83 POLB (0.40) THRBTDP1POLBAPEX1HTT
SCHEMBL11298132 0.83 THRB (0.46) THRBTDP1HTTGAAALDH1A1
SCHEMBL11649389 0.82 THRB (0.40) THRBTDP1POLBAPEX1HTT
SCHEMBL11655315 0.82 TSHR (0.50) THRBCA1CA2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4117240-A CONTAINING ANTIOXIDANT PHENOLIC DERIVATIVES OF ACRYLIC ESTERS AS MONOMERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-09-26 — — US disclosed
US-3962187-A STABILIZED POLYMERS OF DITERTIARY ALKYL-4-HYDROXYBENZYLOXY ALKYL ACRYLATES AND DIENES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-06-08 — — US disclosed
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