SCHEMBL7433338

SCHEMBL7433338

CCOC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.49
CASP3 P42574 1/20 0.48
SLC6A2 P23975 6/20 0.48
SLC6A4 P31645 6/20 0.48
SLC6A3 Q01959 5/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NOTUM Q6P988 1/20 0.43
HTR2C P28335 2/20 0.42
LGMN Q99538 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
SCHEMBL6936335 0.86 MEN1 (0.49) HTTMAPTALDH1A1TSHRKDM4E
SCHEMBL15367247 0.81 MEN1 (0.60) MAPTALDH1A1TSHRKDM4ECASP3
SCHEMBL15374432 0.81 MEN1 (0.60) MAPTALDH1A1TSHRKDM4ECASP3
SCHEMBL3095656 0.80 NOTUM (0.52) ALDH1A1SLC6A2SLC6A4SLC6A3HDAC1
SCHEMBL2191332 0.80 HTT (0.49) HTTMAPTMAPK1ALDH1A1TSHR
SCHEMBL1010136 0.77 ALDH1A1 (0.55) HTTMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL23484650 0.76 ALDH1A1 (0.52) HTTMAPTMAPK1ALDH1A1TSHR
SCHEMBL6499815 0.76 TSHR (0.66) HTTMAPTMAPK1ALDH1A1TSHR
SCHEMBL9833258 0.76 MAPT (0.55) HTTMAPTMAPK1ALDH1A1TSHR
SCHEMBL7818940 0.74 SLC6A2 (0.54) MAPTSMN1; SMN2SLC6A2SLC6A4SLC6A3

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
US-5538985-A SIDE EFFECT REDUCTION MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-23 US disclosed
EP-0668275-A1 Pyrrolidinone derivatives MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-08-23 EP disclosed