SCHEMBL7002632

SCHEMBL7002632

CCOC(=O)c1[nH]c2ccccc2c1C(c1ccc(OC)cc1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.55
MEN1 O00255 7/20 0.55
POLB P06746 4/20 0.55
GAA P10253 2/20 0.55
GABRA1 P14867 3/20 0.50
GABRG2 P18507 3/20 0.50
GABRB3 P28472 3/20 0.50
GABRA5 P31644 3/20 0.50
GABRA3 P34903 3/20 0.50
GABRA2 P47869 3/20 0.50
TUBB4A P04350 3/20 0.49
TUBB P07437 3/20 0.49
TUBA3C P0DPH7 3/20 0.49
TUBA1B P68363 3/20 0.49
TUBA4A P68366 3/20 0.49
TUBB4B P68371 3/20 0.49
TUBB3 Q13509 3/20 0.49
TUBB2A Q13885 3/20 0.49
TUBB8 Q3ZCM7 3/20 0.49
TUBA3E Q6PEY2 3/20 0.49

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
SCHEMBL8472324 0.90 MEN1 (0.53) KMT2AMEN1POLBGAAGABRA1
SCHEMBL7003917 0.82 KMT2A (0.54) KMT2AMEN1POLBGAATUBB4A
SCHEMBL7006749 0.82 TUBB4A (0.56) KMT2AMEN1GAATUBB4ATUBB
SCHEMBL8472591 0.81 MEN1 (0.62) KMT2AMEN1POLBGAATUBB4A
SCHEMBL19661278 0.79 MEN1 (0.66) KMT2AMEN1POLBGAATUBB4A
SCHEMBL7616574 0.79 KMT2A (0.52) KMT2AMEN1POLBTUBB4ATUBB
SCHEMBL7005939 0.78 ALDH1A1 (0.54) KMT2AMEN1POLBGAATUBB4A
SCHEMBL7004614 0.78 ALDH1A1 (0.43) KMT2AMEN1POLBGAATUBB4A
SCHEMBL6014766 0.77 KMT2A (0.61) KMT2AMEN1POLBTUBB4ATUBB
SCHEMBL8472895 0.77 HTR6 (0.55) KMT2AMEN1POLBGAATUBB4A

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
EP-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO disclosed