SCHEMBL11651409

SCHEMBL11651409

C=C(CCCOCCC)C(=O)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 11/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ GAA P10253 3/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL11651373 0.91 VCAM1 (0.39) VCAM1CA1CA2GAAKMT2A
SCHEMBL28431407 0.86 VCAM1 (0.44) VCAM1CA1CA2GAAKMT2A
SCHEMBL10915251 0.80 CA2 (0.47) VCAM1CA1CA2GAAKMT2A
SCHEMBL10840558 0.76 CA2 (0.42) VCAM1CA1CA2GAALMNA
SCHEMBL3193007 0.72 CA2 (0.52) VCAM1CA1CA2GAAKMT2A
SCHEMBL28853602 0.72 VCAM1 (0.54) VCAM1CA1CA2GAAKMT2A
SCHEMBL11797369 0.72 GAA (0.39) VCAM1CA1CA2GAAKMT2A
SCHEMBL27695001 0.71 VCAM1 (0.52) VCAM1CA1CA2GAAKMT2A
SCHEMBL11800496 0.71 CA1 (0.41) VCAM1CA1CA2GAAKMT2A
SCHEMBL5027033 0.71 VCAM1 (0.55) VCAM1CA1CA2GAAKMT2A

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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