SCHEMBL7040988

SCHEMBL7040988

c1cn(CCC2OCCO2)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.48
EGLN3 Q9H6Z9 1/20 0.46
CYP2B6 P20813 1/20 0.44
CYP19A1 P11511 4/20 0.43
PRKCI P41743 1/20 0.41
FDPS P14324 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL9784058 0.82 CYP19A1 (0.51) TBXAS1CYP19A1
SCHEMBL9784048 0.82 CYP19A1 (0.42) TBXAS1CYP19A1PRKCIALDH1A1CYP1A2
SCHEMBL3237346 0.81 CYP2B6 (0.56) TBXAS1EGLN3CYP2B6CYP19A1FDPS
SCHEMBL28659209 0.79 TBXAS1 (0.50) TBXAS1EGLN3CYP2B6CYP19A1PRKCI
Hydrochloric Acid SCHEMBL410402 0.79 CYP2B6 (0.55) TBXAS1EGLN3CYP2B6CYP19A1FDPS
SCHEMBL13350294 0.75 TBXAS1 (0.54) TBXAS1EGLN3CYP2B6CYP19A1FDPS
SCHEMBL16608340 0.74 CYP2B6 (0.58) TBXAS1EGLN3CYP2B6CYP19A1FDPS
SCHEMBL4773938 0.72 TBXAS1 (0.75) TBXAS1EGLN3CYP19A1PRKCIFDPS
SCHEMBL16492262 0.71 TBXAS1 (0.54) TBXAS1EGLN3CYP2B6CYP19A1PRKCI
SCHEMBL11051486 0.70 CYP2B6 (0.68) TBXAS1EGLN3CYP2B6CYP19A1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0676409-B1 Erythromycin derivatives, their process for preparation and their application as medicaments AVENTIS PHARMA SA (FR) 2003-03-19 EP disclosed
US-5760233-A CHEMICAL INTERMEDIATES FOR MAKING ERYTHROMYCINS ANTIBIOTICS ROUSSEL UCLAF (FR) 1998-06-02 US disclosed
US-5656607-A Erythromycin derivatives ROUSSEL UCLAF (FR) 1997-08-12 US disclosed
WO-1995027720-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS DRUGS ROUSSEL UCLAF (FR) 1995-10-19 WO disclosed
EP-0676409-A1 Erythromycin derivatives, their process for preparation and their application as medicaments ROUSSEL UCLAF (FR) 1995-10-11 EP disclosed