SCHEMBL11036788

SCHEMBL11036788

CC(=O)c1cc(OC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc(OC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.58
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PRTN3 P24158 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL11336605 0.84 ELANE (0.75) ELANEMAPTL3MBTL1PRTN3
SCHEMBL11037438 0.83 ELANE (0.53) ELANEMAPTTDP1L3MBTL1PRTN3
SCHEMBL11039303 0.83 PARP10 (0.60) ELANEMAPTTDP1L3MBTL1KMT2A
SCHEMBL11036708 0.82 CA12 (0.50) ELANEMAPTTDP1KMT2AMEN1
SCHEMBL16300513 0.81 ELANE (0.73) ELANEMAPTTDP1L3MBTL1PRTN3
SCHEMBL19335219 0.79 CA5A (0.55) ELANE
SCHEMBL11040475 0.79 ELANE (0.58) ELANEMAPTTDP1KMT2AMEN1
SCHEMBL12141774 0.78 MAPT (0.64) MAPTTDP1L3MBTL1KMT2AMEN1
SCHEMBL11040246 0.77 ELANE (0.50) ELANEMAPTTDP1L3MBTL1PRTN3
SCHEMBL17585016 0.77 ELANE (0.70) ELANEMAPTTDP1PRTN3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046144-B1 THERAPEUTICALLY ACTIVE DERIVATIVES OF PHENYLETHANOL AMINES Aktiebolaget Draco (SE) 1984-04-11 EP disclosed
US-4442300-A BRONCHOSPASMOLYTIC AKTIEBOLAGET DRACO (SE) 1984-04-10 US disclosed
EP-0046144-A1 Therapeutically active derivatives of phenylethanol amines Aktiebolaget Draco (SE) 1982-02-17 EP disclosed