SCHEMBL11655697

SCHEMBL11655697

C=C(C)C(=O)OCCOc1cc(C(C)(C)CC)c(O)c(C(C)(C)CC)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TSHR P16473 3/20 0.38
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL11649389 0.90 THRB (0.40) THRBPOLBAPEX1HTTTDP1
SCHEMBL11655278 0.88 HTT (0.43) THRBPOLBAPEX1HTTTDP1
SCHEMBL11648102 0.88 TDP1 (0.44) THRBPOLBAPEX1HTTTDP1
SCHEMBL11653080 0.88 TSHR (0.43) THRBPOLBAPEX1HTTTDP1
SCHEMBL11653096 0.86 POLB (0.39) THRBPOLBAPEX1HTTTDP1
SCHEMBL11654877 0.84 THRB (0.45) THRBPOLBAPEX1HTTTDP1
SCHEMBL11668060 0.84 THRB (0.45) THRBPOLBAPEX1HTTTDP1
SCHEMBL11652388 0.83 POLB (0.40) THRBPOLBAPEX1HTTTDP1
SCHEMBL11652439 0.82 THRB (0.47) THRBPOLBAPEX1HTTTDP1
SCHEMBL11653904 0.82 THRB (0.50) THRBTSHRMEN1ALDH1A1KMT2A

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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