SCHEMBL9850898

SCHEMBL9850898

CN(CCCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O.CN(CCCc1ccccn1)CCC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 18/20 0.77
GGPS1 O95749 2/20 0.75
SIGMAR1 Q99720 2/20 0.50
AGTR1 P30556 1/20 0.46
OPRM1 P35372 1/20 0.46
PDE3A Q14432 1/20 0.46

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
SCHEMBL9554468 0.92 FDPS (0.67) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL7941507 0.91 FDPS (0.67) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL9397371 0.88 FDPS (1.00) FDPSGGPS1SIGMAR1AGTR1OPRM1
SCHEMBL6222753 0.88 FDPS (1.00) FDPSGGPS1SIGMAR1AGTR1OPRM1
SCHEMBL9394781 0.88 FDPS (1.00) FDPSGGPS1SIGMAR1AGTR1OPRM1
SCHEMBL9730804 0.87 FDPS (0.97) FDPSGGPS1SIGMAR1AGTR1OPRM1
SCHEMBL9394634 0.87 FDPS (1.00) FDPSGGPS1SIGMAR1AGTR1OPRM1
SCHEMBL6224119 0.85 FDPS (1.00) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL9554186 0.84 FDPS (0.65) FDPSGGPS1
SCHEMBL9397452 0.80 FDPS (0.84) FDPSGGPS1SIGMAR1AGTR1OPRM1

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
EP-0407344-A2 Pharmaceutical preparation for topical application CIBA-GEIGY AG (CH) 1991-01-09 EP claimed