SCHEMBL601437

SCHEMBL601437

CC1(C)CC(OP(=O)(O)O)CC(C)(C)N1ON[O]

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
INPP5A Q14642 1/20 0.33
ITPR3 Q14573 1/20 0.31

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
SCHEMBL14409850 0.81 INPP5A (0.35) INPP5AITPR3
SCHEMBL29389192 0.81 INPP5A (0.35) INPP5AITPR3
SCHEMBL601363 0.77 GAA (0.41) INPP5AITPR3
SCHEMBL252069 0.77 INPP5A (0.37) INPP5AITPR3
SCHEMBL14165319 0.77 INPP5A (0.37) INPP5AITPR3
Water SCHEMBL2026850 0.75 INPP5A (0.36) INPP5AITPR3
SCHEMBL6678762 0.74 GAA (0.30)
SCHEMBL5072013 0.70 INPP5A (0.33) INPP5AITPR3
SCHEMBL6567878 0.70 INPP5A (0.36) INPP5AITPR3
SCHEMBL7741916 0.69

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-20120040397-A1 Photo-Crosslinked Nucleic Acid Hydrogels CORNELL UNIVERSITY 2012-02-16 US disclosed