SCHEMBL4740360

SCHEMBL4740360

CC(C(=O)N1CCOCC1)n1cc(-c2ccccc2)[nH]c1=S

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 9/20 0.43
MAPT P10636 1/20 0.43
PLD1 Q13393 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
GFER P55789 1/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 1/20 0.41
KDM1A O60341 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
NCOA3 Q9Y6Q9 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
SCHEMBL4740458 0.81 HTT (0.47) ALOX15KMT2AMAPTKDM4EHTT
SCHEMBL4736668 0.80 RAB9A (0.51) KMT2AGAAALDH1A1MAPTKDM4E
SCHEMBL4784947 0.76 GFER (0.50) KMT2AGAAALDH1A1MAPTKDM4E
SCHEMBL4783050 0.76 PTGS2 (0.53) KMT2AHSD17B10ALDH1A1MAPTHTT
SCHEMBL4799793 0.72 RAB9A (0.59) KMT2AGAAALDH1A1MAPTKDM4E
SCHEMBL11623108 0.69 ALDH1A1 (0.51) ALOX15KMT2AHSD17B10GAAALDH1A1
SCHEMBL4740852 0.69 RAB9A (0.51) KMT2AGAAALDH1A1MAPTKDM4E
SCHEMBL4738664 0.69 KMT2A (0.50) KMT2AHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL9036962 0.68 GAA (0.54) ALOX15KMT2AHSD17B10GAAALDH1A1
SCHEMBL4913725 0.67 TSHR (0.67) ALOX15KMT2AHSD17B10GAAALDH1A1

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-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO claimed
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO disclosed