SCHEMBL9315826

SCHEMBL9315826

C[C@]1(n2ccc(NCCCCCCO)nc2=O)C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
P2RY2 P41231 1/20 0.35
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
CA9 Q16790 2/20 0.32
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
GAS6 Q14393 1/20 0.30
KCNH3 Q9ULD8 1/20 0.30
POLB P06746 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
SCHEMBL5192208 0.84 P2RY6 (0.33) P2RY2POLB
SCHEMBL992472 0.78 PDE3A (0.46) POLB
SCHEMBL6464825 0.71 P2RY2 (0.42) CA1CA2P2RY2PLA2G1BATG4B
SCHEMBL6464823 0.71 P2RY2 (0.42) CA1CA2P2RY2PLA2G1BATG4B
SCHEMBL8660992 0.69 PDE3A (0.42) POLB
SCHEMBL438241 0.69 SLC28A1 (0.44) P2RY2
SCHEMBL7240457 0.67 PDE4D (0.32) POLB
SCHEMBL6884819 0.67 POLB (0.37) POLB
SCHEMBL30721625 0.67 PLA2G1B (0.55) P2RY2PLA2G1BATG4BPOLB
SCHEMBL9315818 0.67 PLA2G1B (0.51) CA1CA2P2RY2PLA2G1BATG4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0521111-A4 POLYNUCLEOTIDE CAPTURE ASSAY EMPLOYING IN VITRO AMPLIFICATION CHIRON CORP (US) 1994-06-01 EP disclosed
EP-0521111-A1 POLYNUCLEOTIDE CAPTURE ASSAY EMPLOYING IN VITRO AMPLIFICATION CHIRON CORPORATION (US) 1993-01-07 EP disclosed
WO-1991014788-A1 POLYNUCLEOTIDE CAPTURE ASSAY EMPLOYING IN VITRO AMPLIFICATION CHIRON CORPORATION (US) 1991-10-03 WO disclosed