SCHEMBL31934

SCHEMBL31934

COC(=O)c1cc(CNCC(N)=O)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.48
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HTT P42858 1/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL12635836 0.83 HPGD (0.63) HPGDLMNAKMT2AALDH1A1GAA
SCHEMBL9903804 0.82 LMNA (0.52) LMNAMEN1KMT2AATMALDH1A1
SCHEMBL1361424 0.79 HPGD (0.54) HPGDLMNAALDH1A1GAAHTT
SCHEMBL30362267 0.79 HPGD (0.54) HPGDLMNAALDH1A1GAAHTT
SCHEMBL6927546 0.79 GAA (0.65) HPGDLMNAALDH1A1GAAHTT
SCHEMBL14415935 0.79 HPGD (0.57) HPGDLMNAKMT2AALDH1A1GAA
SCHEMBL31371288 0.77 HPGD (0.56) HPGDLMNAALDH1A1GAAHTT
SCHEMBL4155356 0.77 HPGD (0.56) HPGDLMNAALDH1A1GAAHTT
SCHEMBL13141012 0.77 HPGD (0.52) HPGDLMNAALDH1A1GAAHTT
SCHEMBL3010907 0.77 KDM4E (0.60) HPGDLMNAMEN1KMT2AATM

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
WO-2012026495-A1 NOVEL HYDANTOIN DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2012-03-01 WO disclosed