SCHEMBL3468060

SCHEMBL3468060

CCCN1/C(=C/c2c(OCC)c(=O)c2=O)C(C)(C)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.45
KMT2A Q03164 10/20 0.45
MEN1 O00255 9/20 0.45
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KDM4E B2RXH2 4/20 0.45
GPR55 Q9Y2T6 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 4/20 0.42
USP2 O75604 3/20 0.42
LMNA P02545 7/20 0.39
HTT P42858 6/20 0.39
GLA P06280 1/20 0.38
TP53 P04637 3/20 0.36
THRB P10828 2/20 0.36
POLB P06746 3/20 0.36
CBX7 O95931 1/20 0.35
CDYL Q9Y232 1/20 0.35

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
SCHEMBL3468065 1.00 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL19815097 0.86 KMT2A (0.41) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL21314805 0.86 KMT2A (0.41) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7750488 0.84 ALDH1A1 (0.46) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7745679 0.84 ALDH1A1 (0.46) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12156970 0.82 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL13103144 0.82 ALDH1A1 (0.38) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL17627888 0.81 ALDH1A1 (0.40) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL15947424 0.81 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5515255 0.81 MAPT (0.48) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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-2208212-A1 A DYE INCLUDING AN ANCHORING GROUP IN ITS MOLECULAR STRUCTURE Sony Corporation (JP) 2010-07-21 EP disclosed
WO-2009053108-A1 A DYE INCLUDING AN ANCHORING GROUP IN ITS MOLECULAR STRUCTURE SONY CORPORATION (JP) 2009-04-30 WO disclosed