SCHEMBL9787773

SCHEMBL9787773

CCOCCOc1ccc(CC(=O)OCC)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.57
THRA P10827 1/20 0.49
ACACB O00763 1/20 0.48
LTA4H P09960 4/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
PDE4A P27815 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CYP4Z1 Q86W10 1/20 0.47

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
SCHEMBL7484161 0.87 SMN1; SMN2 (0.62) TBXAS1LTA4HALDH1A1KDM4ECYP1A2
SCHEMBL3801206 0.87 TBXAS1 (0.60) TBXAS1LTA4HALDH1A1HPGDGAA
SCHEMBL11985729 0.86 ALDH1A1 (0.56) TBXAS1ALDH1A1HPGDGAAKDM4E
SCHEMBL181473 0.85 HPGD (0.61) TBXAS1ALDH1A1HPGDGAASMN1; SMN2
SCHEMBL8147343 0.84 TBXAS1 (0.57) TBXAS1LTA4HALDH1A1HPGDGAA
SCHEMBL10726761 0.84 LTA4H (0.57) TBXAS1LTA4HKDM4ECYP1A2CYP2D6
SCHEMBL7969106 0.84 TBXAS1 (0.57) TBXAS1LTA4HALDH1A1HPGDGAA
SCHEMBL6781796 0.84 TBXAS1 (0.57) TBXAS1LTA4HALDH1A1HPGDKDM4E
SCHEMBL7150227 0.84 ACACB (0.53) THRAACACBALDH1A1KDM4ECYP1A2
SCHEMBL27365290 0.84 KMT2A (0.48) TBXAS1ALDH1A1GAACYP1A2CYP4Z1

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-5045567-A Propanolamine derivatives having anti-diabetic effects HOFFMANN-LA ROCHE INC. (US) 1991-09-03 US disclosed