SCHEMBL11807462

SCHEMBL11807462

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.33
▸ ATM Q13315 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ CNR1 P21554 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 0.94 ELANE (0.36) ELANEATMGAAXBP1NPSR1
SCHEMBL11800906 0.92 ELANE (0.37) ELANEATMGAAXBP1NPSR1
SCHEMBL11800496 0.90 CA1 (0.41) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL11798640 0.90 ELANE (0.34) ELANEATMGAAXBP1NPSR1
SCHEMBL11802937 0.88 CA1 (0.41) ELANEGAA
SCHEMBL11800633 0.88 CNR1 (0.37) ELANEATMGAAXBP1NPSR1
SCHEMBL11797369 0.85 GAA (0.39) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL11795086 0.79 CA2 (0.42) ELANEGAA
SCHEMBL11518542 0.78 TDP1 (0.41) GAAL3MBTL1CNR1
SCHEMBL11649389 0.78 THRB (0.40) TSHRCNR1

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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