SCHEMBL7750463

SCHEMBL7750463

CCN1/C(=C/C2C(O)=C(/C=C3/N(CCCCCC(=O)O)c4ccc(S(=O)(=O)O)cc4C3(C)C)C2O)C(C)(C)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.36
FOLH1 Q04609 4/20 0.35
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33

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
SCHEMBL7750125 1.00 CHRM1 (0.36) CHRM1FOLH1MEN1MAPTKMT2A
SCHEMBL7750132 1.00 CHRM1 (0.36) CHRM1FOLH1MEN1MAPTKMT2A
SCHEMBL7750139 1.00 CHRM1 (0.36) CHRM1FOLH1MEN1MAPTKMT2A
SCHEMBL7750468 1.00 CHRM1 (0.36) CHRM1FOLH1MEN1MAPTKMT2A
SCHEMBL7750475 1.00 CHRM1 (0.36) CHRM1FOLH1MEN1MAPTKMT2A
SCHEMBL7745631 0.96 CHRM1 (0.34) CHRM1FOLH1OPRM1OPRK1CHRM2
SCHEMBL7745633 0.96 CHRM1 (0.34) CHRM1FOLH1OPRM1OPRK1CHRM2
SCHEMBL7745635 0.96 CHRM1 (0.34) CHRM1FOLH1OPRM1OPRK1CHRM2
SCHEMBL8009961 0.93 ADORA1 (0.33) CHRM1FOLH1OPRM1OPRK1CHRM2
SCHEMBL8009972 0.93 ADORA1 (0.33) CHRM1FOLH1OPRM1OPRK1CHRM2

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-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