SCHEMBL9259820

SCHEMBL9259820

NCC(=O)OP(=O)(O)O.[KH]

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.48
PEPD P12955 1/20 0.37
ALDH1A1 P00352 1/20 0.32
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
OR51E2 Q9H255 1/20 0.32
FDPS P14324 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRR1 P24046 1/20 0.31
PGD P52209 1/20 0.30
TPI1 P60174 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
Hydrochloric Acid SCHEMBL27842252 0.97 CA4 (0.46) CA4PEPDALDH1A1GLRA1SLC6A9
SCHEMBL1051634 0.97
SCHEMBL28278230 0.95 CA4 (0.48) CA4PEPDALDH1A1GLRA1SLC6A9
SCHEMBL9619452 0.78 CA4 (0.46) CA4PEPDFDPSBLMTDP1
SCHEMBL28184189 0.77
SCHEMBL13517005 0.77 FDPS (0.38) CA4FDPSBLMTDP1
SCHEMBL2113150 0.77 KDM4E (0.52) CA4PEPDGABRR1
SCHEMBL10563126 0.75 CA4 (0.48) CA4PEPDFDPSBLMTDP1
SCHEMBL285627 0.75 CA4 (0.48) CA4PEPDFDPSBLMTDP1
SCHEMBL11661979 0.74 GLRA1 (0.32) CA4GLRA1SLC6A9OR51E2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015692-A Heterocyclic derivatives as hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2011-04-13 CN disclosed
EP-0392320-B1 Shampoo composition KAO CORP (JP) 1995-07-05 EP disclosed
EP-0337354-B1 Low-irritation detergent composition KAO CORP (JP) 1994-02-02 EP disclosed
US-5211883-A Amidoamine type amphoteric surfactant, a modified silicone and a specific polymer KAO CORPORATION (JP) 1993-05-18 US disclosed
US-5077041-A Amidoamine amphoteric surfactant, modified silicone polymer, cationic polymer KAO CORPORATION (JP) 1991-12-31 US disclosed
US-5057311-A Mixture of alkyl saccharide surfactant and cationic polymer KAO CORPORATION (JP) 1991-10-15 US disclosed
EP-0392320-A2 Shampoo composition KAO CORPORATION (JP) 1990-10-17 EP disclosed
EP-0337354-A1 Low-irritation detergent composition Kao Corporation (JP) 1989-10-18 EP disclosed