SCHEMBL7750522

SCHEMBL7750522

CCCCN1C(=CC2C(O)=C(C=C3N(CCCCCC(=O)O)c4ccc(S(=O)(=O)O)cc4C3(C)C)C2O)C(C)(C)c2cc(S(=O)(=O)O)ccc21

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.34
CXCR4 P61073 1/20 0.32
PRMT5 O14744 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT1 Q99873 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
CHRM1 P11229 2/20 0.32
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
FOLH1 Q04609 2/20 0.31
PTPN1 P18031 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL7750523 1.00 ADORA1 (0.34) ADORA1CXCR4PRMT5CARM1PRMT1
SCHEMBL7750517 1.00 ADORA1 (0.34) ADORA1CXCR4PRMT5CARM1PRMT1
SCHEMBL8009972 0.98 ADORA1 (0.33) ADORA1CXCR4OPRM1OPRK1CHRM1
SCHEMBL8009961 0.98 ADORA1 (0.33) ADORA1CXCR4OPRM1OPRK1CHRM1
SCHEMBL5003030 0.98 ADORA1 (0.33) ADORA1CXCR4OPRM1OPRK1CHRM1
SCHEMBL7745631 0.96 CHRM1 (0.34) ADORA1CXCR4OPRM1OPRK1CHRM1
SCHEMBL7745633 0.96 CHRM1 (0.34) ADORA1CXCR4OPRM1OPRK1CHRM1
SCHEMBL7745635 0.96 CHRM1 (0.34) ADORA1CXCR4OPRM1OPRK1CHRM1
SCHEMBL7745660 0.94 PTPN1 (0.37) ADORA1CXCR4OPRM1OPRK1CHRM1
SCHEMBL7745671 0.94 PTPN1 (0.37) ADORA1CXCR4OPRM1OPRK1CHRM1

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