SCHEMBL11145280

SCHEMBL11145280

C=C(C)COc1ccc(Sc2ccc(OCC(=C)C)cc2F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.41
MEN1 O00255 9/20 0.41
ALDH1A1 P00352 6/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.41
GPR174 Q9BXC1 1/20 0.39
MAOB P27338 2/20 0.38
AOC3 Q16853 1/20 0.38
MAPT P10636 9/20 0.37
NPSR1 Q6W5P4 8/20 0.37
LMNA P02545 6/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 5/20 0.36
KDM4E B2RXH2 3/20 0.36
TP53 P04637 3/20 0.36
USP2 O75604 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL2464487 0.83 MAOB (0.53) KMT2AMEN1ALDH1A1POLBL3MBTL1
SCHEMBL11238246 0.81 KMT2A (0.45) KMT2AMEN1ALDH1A1POLBL3MBTL1
SCHEMBL11147005 0.81 KMT2A (0.41) KMT2AMEN1ALDH1A1POLBL3MBTL1
SCHEMBL31079953 0.79 KMT2A (0.42) KMT2AMEN1ALDH1A1POLBL3MBTL1
SCHEMBL18990273 0.79 KMT2A (0.42) KMT2AMEN1ALDH1A1POLBL3MBTL1
SCHEMBL13862092 0.79 MAOB (0.42) KMT2AMEN1ALDH1A1POLBL3MBTL1
SCHEMBL18991212 0.75 KMT2A (0.39) KMT2AMEN1ALDH1A1POLBL3MBTL1
SCHEMBL4969703 0.75 MEN1 (0.42) KMT2AMEN1ALDH1A1POLBL3MBTL1
SCHEMBL10338925 0.74 GPR174 (0.58) KMT2AMEN1ALDH1A1POLBL3MBTL1
SCHEMBL19029883 0.74 RAPGEF3 (0.49) KMT2AMEN1ALDH1A1POLBL3MBTL1

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
US-4374854-A Fungicidal sulfur-containing phenyl esters and mixtures thereof GAF CORPORATION (US) 1983-02-22 US disclosed