SCHEMBL11653080

SCHEMBL11653080

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ THRB P10828 1/20 0.38
▸ CNR2 P34972 15/20 0.37
▸ CNR1 P21554 14/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37

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 0.93 THRB (0.40) TSHRPOLBAPEX1HTTTDP1
SCHEMBL11655697 0.88 THRB (0.42) TSHRPOLBAPEX1HTTTDP1
SCHEMBL11655278 0.86 HTT (0.43) TSHRPOLBAPEX1HTTTDP1
SCHEMBL11648861 0.84 THRB (0.43) TSHRPOLBAPEX1HTTTDP1
SCHEMBL11800633 0.84 CNR1 (0.37) TSHRCNR2CNR1TRPV1
SCHEMBL11648102 0.83 TDP1 (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL11653096 0.82 POLB (0.39) TSHRPOLBAPEX1HTTTDP1
SCHEMBL11797369 0.81 GAA (0.39) TSHRTDP1CNR1
SCHEMBL11668060 0.80 THRB (0.45) TSHRPOLBAPEX1HTTTDP1
SCHEMBL11654877 0.80 THRB (0.45) TSHRPOLBAPEX1HTTTDP1

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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