SCHEMBL3428545

SCHEMBL3428545

Bc1ccc(SCC(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
GAA P10253 1/20 0.44
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CTSB P07858 1/20 0.40
ELANE P08246 1/20 0.40
DUSP3 P51452 1/20 0.40
USP2 O75604 2/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6208171 0.81 PKM (0.58) PKMGAAFFAR1ALDH1A1SMN1; SMN2
SCHEMBL787870 0.81 PKM (0.62) PKMALDH1A1SMN1; SMN2USP2HPGD
SCHEMBL17285630 0.81 FFAR1 (0.65) PKMGAAFFAR1ALDH1A1SMN1; SMN2
SCHEMBL3430422 0.79 PKM (0.56) PKMGAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL941105 0.79 SMN1; SMN2 (0.66) PKMGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL1251803 0.79 PKM (0.56) PKMGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL19389501 0.79 PKM (0.47) PKMGAAFFAR1ALDH1A1MEN1
SCHEMBL7407 0.78 FFAR1 (0.68) PKMGAAFFAR1ALDH1A1MEN1
SCHEMBL19389461 0.78 PKM (0.54) PKMGAAFFAR1ALDH1A1SMN1; SMN2
SCHEMBL14309133 0.78 PKM (0.54) PKMGAAFFAR1ALDH1A1SMN1; SMN2

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
WO-2012002502-A1 DIHYDROPYRIMIDINONE DERIVATIVE AND PHARMACEUTICAL USE THEREOF 大日本住友製薬株式会社 (JP) 2012-01-05 WO disclosed
WO-2008027466-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS SCHERING CORPORATION (US) 2008-03-06 WO disclosed