SCHEMBL11798640

SCHEMBL11798640

C=C(C)C(=O)Oc1cc(C(C)(C)CC)c(O)c(C(C)(C)CCC)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.34
▸ ATM Q13315 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ XBP1 P17861 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ VCAM1 P19320 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
SCHEMBL11807419 0.96 ELANE (0.36) ELANEATMKMT2ACA1CA2
SCHEMBL11800496 0.92 CA1 (0.41) ATMKMT2ACA1CA2GAA
SCHEMBL11807462 0.90 ELANE (0.33) ELANEATMKMT2AGAAXBP1
SCHEMBL11795086 0.89 CA2 (0.42) ELANECA1CA2GAAVCAM1
SCHEMBL11800633 0.88 CNR1 (0.37) ELANEATMKMT2ACA1CA2
SCHEMBL11797369 0.85 GAA (0.39) ATMKMT2ACA1CA2GAA
SCHEMBL11800906 0.81 ELANE (0.37) ELANEATMKMT2ACA1CA2
SCHEMBL11649389 0.80 THRB (0.40) —
SCHEMBL16544027 0.78 ATM (0.44) ELANEATMKMT2AGAAXBP1
SCHEMBL3193007 0.78 CA2 (0.52) ELANEATMKMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3953402-A COPOLYMER OF A P-HYDROXYPHENYL ACRYLATE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-04-27 — — US disclosed
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