SCHEMBL9735928

SCHEMBL9735928

Cn1cc(CCC(=O)c2ccccc2O)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.56
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
MAOB P27338 1/20 0.41
HAT1 O14929 2/20 0.40
EP300 Q09472 2/20 0.40
HCAR2 Q8TDS4 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
MGAM O43451 1/20 0.39
AMY1A P0DUB6 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 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
Dihydrochalcone SCHEMBL2827303 0.75 CYP19A1 (0.80) CYP19A1HSD17B10ALDH1A1SMN1; SMN2NPC1
Dihydrochalcone SCHEMBL29359372 0.75 CYP19A1 (0.80) CYP19A1HSD17B10ALDH1A1SMN1; SMN2NPC1
Dihydrochalcone SCHEMBL7540273 0.74 CYP19A1 (0.77) CYP19A1HSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL4414182 0.74 MEN1 (0.48) MEN1KMT2AHSD17B10ALDH1A1L3MBTL1
SCHEMBL1733117 0.73 CYP19A1 (0.71) CYP19A1HSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL30358375 0.73 CYP19A1 (0.71) CYP19A1HSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL3216381 0.72 CYP19A1 (0.60) CYP19A1MEN1KMT2AALDH1A1CYP2C9
SCHEMBL1841587 0.72 CYP19A1 (1.00) CYP19A1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL17824738 0.72 MEN1 (0.47) MEN1KMT2AHSD17B10ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL3785617 0.72 CYP19A1 (0.69) CYP19A1HSD17B10ALDH1A1SMN1; SMN2NPC1

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-5118685-A Antiarrhythmia agents BASF AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed