SCHEMBL23223972

SCHEMBL23223972

CCOC(CCCNC(=O)c1cccc(C(=O)OC)c1)OI

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ EPHX1 P07099 1/20 0.46
▸ ATM Q13315 1/20 0.45
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ CREBBP Q92793 1/20 0.41
▸ TP53BP1 Q12888 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CASR P41180 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL18918531 0.93 SMN1; SMN2 (0.56) SMN1; SMN2EPHX1ATMGAAMAPT
SCHEMBL18918566 0.82 SMN1; SMN2 (0.57) SMN1; SMN2EPHX1ATMGAAMAPT
SCHEMBL18259868 0.80 POLB (0.61) SMN1; SMN2EPHX1MAPTPOLBL3MBTL1
SCHEMBL9313118 0.79 SMN1; SMN2 (0.62) SMN1; SMN2GAAMAPTPAX8TP53BP1
SCHEMBL10793568 0.79 SMN1; SMN2 (0.82) SMN1; SMN2GAAMAPTPOLBKDM5B
SCHEMBL19943110 0.78 SMN1; SMN2 (0.74) SMN1; SMN2GAAMAPTPOLBKDM5B
SCHEMBL18918544 0.77 SMN1; SMN2 (0.50) SMN1; SMN2EPHX1ATMGAAMAPT
SCHEMBL23223763 0.76 SMN1; SMN2 (0.47) SMN1; SMN2EPHX1ATMGAAMAPT
SCHEMBL29798859 0.76 NPC1 (0.58) SMN1; SMN2EPHX1POLBL3MBTL1KMT2A
SCHEMBL10790383 0.76 L3MBTL1 (0.67) SMN1; SMN2GAAMAPTPOLBKDM5B

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
EP-3383867-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2021-04-14 — — EP disclosed
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