SCHEMBL6502389

SCHEMBL6502389

CCOC(=O)CCc1cccc(C#CCN2C(=O)c3ccccc3NC2C)c1Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 8/20 0.38
GAA P10253 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 5/20 0.33
PTPN1 P18031 1/20 0.33
THRB P10828 1/20 0.33
DRD2 P14416 1/20 0.33
GSK3B P49841 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
USP2 O75604 1/20 0.32
CLCN2 P51788 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL6508554 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EGAASMN1; SMN2HPGD
SCHEMBL6509824 0.79 CYP4F2 (0.34) ALDH1A1GAASMN1; SMN2HPGDGSK3B
SCHEMBL6528870 0.77 NOTUM (0.39) ALDH1A1KDM4EGAASMN1; SMN2CYP4F2
SCHEMBL6530940 0.77 KMT2A (0.39) ALDH1A1GAATHRBUSP2KMT2A
SCHEMBL6527238 0.77 NPSR1 (0.45) ALDH1A1KDM4EGAASMN1; SMN2HPGD
SCHEMBL6528744 0.76 THRB (0.36) ALDH1A1GAATHRBCYP4F2CYP4A11
SCHEMBL6530164 0.62 PPARG (0.34) ALDH1A1SMN1; SMN2NPSR1NPC1RAB9A
SCHEMBL6508934 0.61 KMT2A (0.33) ALDH1A1CLCN2KMT2AHTT
SCHEMBL6510219 0.59 CYP4F2 (0.46) ALDH1A1KDM4EGAAHPGDGSK3B
SCHEMBL11068446 0.59 CA12 (0.43) ALDH1A1GAASMN1; SMN2NPSR1KMT2A

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-2005056536-A1 ANTIDIABETIC AGENTS WHICH EXHIBIT ACTIVITY AGAINST PPAR RANBAXY LABORATORIES LIMITED (IN) 2005-06-23 WO disclosed