SCHEMBL6528744

SCHEMBL6528744

CCOC(=O)CCc1cccc(C#CCN2CCOc3ccccc32)c1Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.36
MAPT P10636 4/20 0.35
RXFP1 Q9HBX9 3/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CLCN2 P51788 1/20 0.32
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 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
SCHEMBL6528870 0.88 NOTUM (0.39) MAPTALDH1A1TP53GAACYP4F2
SCHEMBL6530940 0.86 KMT2A (0.39) THRBMAPTLMNATSHRALDH1A1
SCHEMBL6509824 0.86 CYP4F2 (0.34) RXFP1ALDH1A1NPSR1GLAGAA
SCHEMBL6528363 0.80 MAPT (0.38) THRBMAPTRXFP1LMNATSHR
SCHEMBL6527238 0.79 NPSR1 (0.45) MAPTLMNAALDH1A1NPSR1GAA
SCHEMBL6502389 0.76 ALDH1A1 (0.38) THRBALDH1A1NPSR1GAACYP4F2
SCHEMBL6532465 0.67 MAPT (0.41) THRBMAPTRXFP1LMNATSHR
SCHEMBL6528531 0.66 NOTUM (0.46) MAPTALDH1A1NPSR1GAACYP4F2
SCHEMBL6529673 0.65 ALDH1A1 (0.49) MAPTTSHRALDH1A1TP53GAA
SCHEMBL15157526 0.65 KMT2A (0.60) THRBMAPTRXFP1LMNATSHR

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