SCHEMBL19184095

SCHEMBL19184095

CCC(CC)C(Oc1cccc2nc(C)c(C(=O)O)c(N)c12)c1ccc(OC2CCCC2)c2c(N)c(C(=O)O)c(C)nc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.33
▸ PDGFRB P09619 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ PDE4A P27815 4/20 0.31
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ KLKB1 P03952 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
SCHEMBL621608 0.84 MCHR1 (0.43) MCHR1PDGFRBFGFR1KDRPDE4A
SCHEMBL30358378 0.84 MCHR1 (0.43) MCHR1PDGFRBFGFR1KDRPDE4A
SCHEMBL620347 0.84 MCHR1 (0.43) MCHR1PDGFRBFGFR1KDRPDE4A
SCHEMBL27923932 0.83 MCHR1 (0.42) MCHR1PDGFRBFGFR1KDRPDE4A
Hydrochloric Acid SCHEMBL618260 0.83 MCHR1 (0.42) MCHR1PDGFRBFGFR1KDRPDE4A
SCHEMBL620752 0.83 HSD17B10 (0.41) MCHR1PDGFRBFGFR1KDRPDE4A
SCHEMBL20857175 0.76 — —
SCHEMBL620595 0.76 ACHE (0.44) MCHR1
SCHEMBL620400 0.76 ACHE (0.44) MCHR1
SCHEMBL17878978 0.75 MCHR1 (0.40) MCHR1PDGFRBFGFR1KDRPDE4A

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-9717267-B2 Beverages containing rare sugars THE COCA-COLA COMPANY (US) 2017-08-01 — — US disclosed
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