SCHEMBL7751489

SCHEMBL7751489

CCN1/C(=C\c2c(OC)c(=O)c2=O)C(C)(C)c2cc(S(=O)(=O)O)ccc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
POLB P06746 2/20 0.34
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 3/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
FOLH1 Q04609 1/20 0.31
CHRM1 P11229 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL7751495 1.00 MAPT (0.36) MAPTPOLBCYP2C19CYP3A4MEN1
SCHEMBL19731565 0.80 MEN1 (0.38) MAPTPOLBCYP2C19CYP3A4MEN1
SCHEMBL18855496 0.80 MEN1 (0.38) MAPTPOLBCYP2C19CYP3A4MEN1
SCHEMBL6234350 0.76 S1PR3 (0.36) MAPTCYP2C19CYP3A4MEN1KMT2A
SCHEMBL6233724 0.76 S1PR3 (0.36) MAPTCYP2C19CYP3A4MEN1KMT2A
SCHEMBL7701839 0.69 ABCG2 (0.32) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL14769835 0.69 MEN1 (0.34) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7745679 0.69 ALDH1A1 (0.46) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL14773229 0.69 POLB (0.40) MAPTPOLBCYP3A4MEN1KMT2A
SCHEMBL7750488 0.69 ALDH1A1 (0.46) MAPTPOLBMEN1KMT2AALDH1A1

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