SCHEMBL7745679

SCHEMBL7745679

CCCCOc1c(C=C2N(CC)c3ccccc3C2(C)C)c(=O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
MAPT P10636 8/20 0.46
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPSR1 Q6W5P4 4/20 0.46
GPR55 Q9Y2T6 4/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 4/20 0.39
GLA P06280 1/20 0.39
GAA P10253 3/20 0.37
USP2 O75604 2/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 2/20 0.37
THRB P10828 2/20 0.37
NPC1 O15118 1/20 0.37
S1PR2 O95136 1/20 0.37
ALPG P10696 1/20 0.37

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
SCHEMBL7750488 1.00 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL19815097 0.90 KMT2A (0.41) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL21314805 0.90 KMT2A (0.41) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5515255 0.88 MAPT (0.48) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL19815786 0.88 MAPT (0.48) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL13103144 0.86 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL16328778 0.84 KMT2A (0.39) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5009155 0.84 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3468060 0.84 MAPT (0.45) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3468065 0.84 MAPT (0.45) ALDH1A1MAPTKMT2AMEN1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0898596-B1 SQUARATE DYES AND THEIR USE IN FLUORESCENT SEQUENCING METHOD AMERSHAM PHARM BIOTECH UK LTD (GB) 2001-08-29 EP disclosed
US-6140494-A INCREASED WATER SOLUBILITY, INCREASED PHOTOSTABILITY, BRIGHTNESS AND THE POTENTIAL REDUCTION OF INTERACTIONS WITH SURROUNDINGS AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2000-10-31 US disclosed
EP-0898596-A1 SQUARATE DYES AND THEIR USE IN FLUORESCENT SEQUENCING METHOD Amersham Pharmacia Biotech UK Limited (GB) 1999-03-03 EP disclosed
WO-1997040104-A1 SQUARATE DYES AND THEIR USE IN FLUORESCENT SEQUENCING METHOD AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 1997-10-30 WO disclosed