SCHEMBL7052022

SCHEMBL7052022

C=CCOCC(O)OP(=O)(O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.33
CA4 P22748 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7056051 0.81 CA1 (0.41) CA1CA2CA7CA9CA4
SCHEMBL11667403 0.72 MEN1 (0.41) MEN1LMNAHPGDTSHRBLM
SCHEMBL8734074 0.70 TDP1 (0.36) TSHRTDP1PKMSMN1; SMN2
SCHEMBL7051743 0.69 CA1 (0.48) CA1CA2CA7CA9CA4
SCHEMBL4443728 0.69 CA1 (0.59) CA1CA2CA7CA9CA4
SCHEMBL18604307 0.68 CA1 (0.52) CA1CA2CA7CA9CA4
Phosphoric Acid SCHEMBL1074271 0.67 CA1 (0.47) CA1CA2CA7CA9CA4
SCHEMBL7057360 0.67 CA1 (0.37) CA1CA2CA7CA9CA4
Phosphoric Acid SCHEMBL170152 0.66 CA1 (0.55) CA1CA2CA7CA9CA4
SCHEMBL1274601 0.66 CA1 (0.55) CA1CA2CA7CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792275-B1 IMPROVED ANTIVIRAL PRODRUGS UNIV CALIFORNIA (US) 2004-03-03 EP claimed
US-6002029-A Antiviral prodrugs CHIMERIX, INC. 1999-12-14 US claimed