SCHEMBL8009972

SCHEMBL8009972

CC1(C)C(=CC2=C(O)C(C=C3N(CCCCCC(=O)O)c4ccc(S(=O)(=O)O)cc4C3(C)C)C2O)N(CCCCCC(=O)O)c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.33
CXCR4 P61073 1/20 0.33
PTPN1 P18031 1/20 0.32
FOLH1 Q04609 2/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
CHRM1 P11229 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
HRH1 P35367 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 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
SCHEMBL5003030 1.00 ADORA1 (0.33) ADORA1CXCR4PTPN1FOLH1OPRM1
SCHEMBL8009961 1.00 ADORA1 (0.33) ADORA1CXCR4PTPN1FOLH1OPRM1
SCHEMBL7750522 0.98 ADORA1 (0.34) ADORA1CXCR4PTPN1FOLH1OPRM1
SCHEMBL7750523 0.98 ADORA1 (0.34) ADORA1CXCR4PTPN1FOLH1OPRM1
SCHEMBL7750517 0.98 ADORA1 (0.34) ADORA1CXCR4PTPN1FOLH1OPRM1
SCHEMBL7745631 0.97 CHRM1 (0.34) ADORA1CXCR4PTPN1FOLH1OPRM1
SCHEMBL7745633 0.97 CHRM1 (0.34) ADORA1CXCR4PTPN1FOLH1OPRM1
SCHEMBL7745635 0.97 CHRM1 (0.34) ADORA1CXCR4PTPN1FOLH1OPRM1
SCHEMBL7745660 0.96 PTPN1 (0.37) ADORA1CXCR4PTPN1FOLH1OPRM1
SCHEMBL7745671 0.96 PTPN1 (0.37) ADORA1CXCR4PTPN1FOLH1OPRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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