SCHEMBL9637783

SCHEMBL9637783

CCCC1CCC2CCCCC12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 1/20 0.30
ADRA2A P08913 2/20 0.30
ADRA2B P18089 2/20 0.30
ADRA2C P18825 2/20 0.30
ADRA1A P35348 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
SCHEMBL5547886 0.91 CA1 (0.50) CA1CA2CA4CYP1A2CYP2D6
SCHEMBL19434115 0.88 CA1 (0.46) CA1CA2CA4CYP1A2CYP2D6
SCHEMBL20972363 0.87 CYP1A2 (0.45) CA1CA2CA4CYP1A2CYP2D6
SCHEMBL11700082 0.84 CA1 (0.39) CA1CA2CA4CYP1A2CYP2D6
SCHEMBL2991947 0.84 CA1 (0.39) CA1CA2CA4CYP1A2CYP2D6
SCHEMBL24287536 0.84 CA1 (0.39) CA1CA2CA4CYP1A2CYP2D6
SCHEMBL28495821 0.84 CHRNB2 (0.41) CA1CA2CA4CYP1A2CYP2D6
SCHEMBL24287742 0.79 CA1 (0.35) CA1CA2CA4CYP1A2CYP2D6
SCHEMBL2688034 0.78 CYP1A2 (0.45) CA1CA2CA4CYP1A2CYP2D6
SCHEMBL28339122 0.78 CYP1A2 (0.50) CA1CA2CA4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338946-B1 Sweetening agents which derive from the acides l-aspartic and l-glutamotic-n-hydrocarbonés NOFRE, Claude (FR) 1992-07-01 EP claimed
US-4935517-A STABILITY, INTENSITY UNIVERSITE CLAUDE BERNARD (FR) 1990-06-19 US claimed
EP-0338946-A1 Sweetening agents which derive from the acides l-aspartic and l-glutamotic-n-hydrocarbonés NOFRE, Claude (FR) 1989-10-25 EP claimed
EP-0338946-B1 Sweetening agents which derive from the acides l-aspartic and l-glutamotic-n-hydrocarbonés NOFRE, Claude (FR) 1992-07-01 EP disclosed
US-4935517-A STABILITY, INTENSITY UNIVERSITE CLAUDE BERNARD (FR) 1990-06-19 US disclosed
EP-0338946-A1 Sweetening agents which derive from the acides l-aspartic and l-glutamotic-n-hydrocarbonés NOFRE, Claude (FR) 1989-10-25 EP disclosed