SCHEMBL6530940

SCHEMBL6530940

CCOC(=O)CCc1cccc(C#CCN2C(=O)COc3ccccc32)c1Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CBX7 O95931 1/20 0.38
CDYL2 Q8N8U2 1/20 0.38
CDYL Q9Y232 1/20 0.38
CDY1; CDY1B Q9Y6F8 1/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 2/20 0.36
ALOX12 P18054 1/20 0.36
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
TP53 P04637 2/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL6509824 0.90 CYP4F2 (0.34) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL6528744 0.86 THRB (0.36) KMT2AALDH1A1TSHRLMNATHRB
SCHEMBL6527238 0.86 NPSR1 (0.45) ALDH1A1HSD17B10LMNAGAAMAPT
SCHEMBL6528870 0.83 NOTUM (0.39) KMT2AMEN1ALDH1A1TP53GAA
SCHEMBL6529673 0.80 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1CBX7CDYL2
SCHEMBL6502389 0.77 ALDH1A1 (0.38) KMT2AALDH1A1USP2THRBHTT
SCHEMBL6506652 0.69 CYP4F2 (0.41) KMT2AMEN1ALDH1A1HSD17B10LMNA
SCHEMBL2627034 0.66 USP2 (0.70) KMT2AMEN1ALDH1A1CBX7CDYL2
SCHEMBL6528363 0.65 MAPT (0.38) KMT2AALDH1A1TSHRLMNATHRB
SCHEMBL6530164 0.63 PPARG (0.34) KMT2AALDH1A1TP53MAPTPOLB

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