SCHEMBL7609839

SCHEMBL7609839

COC(=O)Nc1ccc(C(COC(C)=O)c2ccc(NC(=O)OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.54
HPGD P15428 5/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.42
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7611013 0.85 CYP17A1 (0.46) SMN1; SMN2HPGDRAB9ANPC1L3MBTL1
SCHEMBL7610612 0.80 SMN1; SMN2 (0.56) SMN1; SMN2HPGDMAPTRAB9ANPC1
Propionic Acid SCHEMBL27745596 0.80 FFAR1 (0.46) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL7609937 0.79 SMN1; SMN2 (0.47) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL7612463 0.79 SMN1; SMN2 (0.55) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL416523 0.76 ALDH1A1 (0.46) MAPTALDH1A1LMNA
SCHEMBL7027861 0.76 SMN1; SMN2 (0.51) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL9601863 0.76 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL9609808 0.75 SMN1; SMN2 (0.82) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL24333940 0.75 LMNA (0.43) HPGDMAPTALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed