SCHEMBL10368730

SCHEMBL10368730

CCCN(CC(=O)OCC)C(=O)CC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.52
▸ MGAM O43451 1/20 0.52
▸ SI P14410 1/20 0.52
▸ MGAM2 Q2M2H8 1/20 0.52
▸ CA12 O43570 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA1 P00915 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ HPGD P15428 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.33

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
SCHEMBL10369219 0.89 GAA (0.48) GAAMGAMSIMGAM2CA12
SCHEMBL10743514 0.89 GAA (0.48) GAAMGAMSIMGAM2CA12
SCHEMBL11626548 0.81 GAA (0.52) GAAMGAMSIMGAM2CA12
SCHEMBL23360566 0.77 THRB (0.46) GAAMGAMSIMGAM2CA12
SCHEMBL11179101 0.77 GAA (0.64) GAAMGAMSIMGAM2CA12
SCHEMBL10366624 0.77 MGAM (0.47) GAAMGAMSIMGAM2CA12
SCHEMBL20125904 0.77 ZDHHC20 (0.40) GAAMGAMSIMGAM2CA12
SCHEMBL7104102 0.75 CA12 (0.53) GAAMGAMSIMGAM2CA12
SCHEMBL23765759 0.75 CA12 (0.39) GAAMGAMSIMGAM2CA12
SCHEMBL19317379 0.74 CA12 (0.52) GAAMGAMSIMGAM2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178759-B1 ALKYNYL DERIVATIVESOF PYRAZOLO-(3,4-B)-PYRIDINE LACTAMS ICI AMERICAS INC. (US) 1990-01-10 — — EP disclosed
US-4705793-A Pyrazolo[3,4-b]pyrrolo[3,4-e]pyridine-5(1H)-one and 1-H-pyrazolo[3,4-b][1,6]naphthyridine-5(6H)-one derivations, useful as anti-anxiety agents ICI AMERICAS INC. (US) 1987-11-10 — — US disclosed
US-4645838-A Pyrazolopyridine compounds, and intermediates, useful as anxiolytic agents ICI AMERICAS INC. (US) 1987-02-24 — — US disclosed
EP-0094175-B1 PYRAZOLOPYRIDINE COMPOUNDS ICI AMERICAS INC. (US) 1986-10-29 — — EP disclosed
EP-0178759-A1 Alkynyl derivativesof pyrazolo-(3,4-b)-pyridine lactams ICI AMERICAS INC. (US) 1986-04-23 — — EP disclosed
US-4563525-A Process for preparing pyrazolopyridine compounds ICI AMERICAS INC. (US) 1986-01-07 — — US disclosed
US-4511568-A CNS-Depressant pyrazolopyridines ICI AMERICAS INC. (US) 1985-04-16 — — US disclosed
EP-0094175-A1 Pyrazolopyridine compounds ICI AMERICAS INC. (US) 1983-11-16 — — EP disclosed
Send feedback