SCHEMBL3247403

SCHEMBL3247403

O=CCc1ccc(C(=O)N2CCCCC2)s1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.68
ALDH1A1 P00352 4/20 0.68
POLB P06746 1/20 0.55
HRH3 Q9Y5N1 3/20 0.53
YEATS4 O95619 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL12313384 0.83 HPGD (0.97) HPGDALDH1A1POLBHRH3YEATS4
SCHEMBL11919033 0.81 HPGD (1.00) HPGDALDH1A1POLBHRH3YEATS4
SCHEMBL3240583 0.79 HPGD (0.60) HPGDALDH1A1POLBHRH3YEATS4
SCHEMBL8588589 0.76 HRH3 (0.68) HPGDALDH1A1POLBHRH3L3MBTL1
SCHEMBL24188536 0.75 ALDH1A1 (0.67) HPGDALDH1A1POLBHRH3YEATS4
SCHEMBL13155877 0.73 HPGD (0.62) HPGDALDH1A1POLBHRH3YEATS4
SCHEMBL3196789 0.73 HPGD (0.96) HPGDALDH1A1POLBYEATS4L3MBTL3
SCHEMBL20460413 0.73 HPGD (0.96) HPGDALDH1A1POLBYEATS4L3MBTL3
SCHEMBL3254670 0.73 HPGD (0.62) HPGDALDH1A1POLBHRH3YEATS4
SCHEMBL2637597 0.73 HPGD (0.66) HPGDALDH1A1POLBYEATS4L3MBTL3

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-2182809-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS Helicon Therapeutics, Inc. (US) 2010-05-12 EP disclosed
WO-2009029632-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 WO disclosed