SCHEMBL9854945

SCHEMBL9854945

O=C([C@@H](O)[C@@H](O)[C@@H](O)C(=O)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
PGD P52209 1/20 0.30
TSHR P16473 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
SCHEMBL9387950 0.91
SCHEMBL4939206 0.84 PDE4A (0.44) PGDTSHR
SCHEMBL6400897 0.84 PDE4A (0.44) PGDTSHR
SCHEMBL28496349 0.82 MMP1 (0.34) CA12CA1CA2MMP1MMP2
SCHEMBL5488415 0.80
SCHEMBL28185396 0.80
SCHEMBL3350436 0.80 PDE4A (0.46) PGD
SCHEMBL6282106 0.78 PDE4A (0.56) PGD
SCHEMBL360335 0.78 PDE4A (0.56) PGD
SCHEMBL71871 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5004810-A Herpes simplex virus SCHERING CORPORATION (US) 1991-04-02 US claimed
US-5004810-A Herpes simplex virus SCHERING CORPORATION (US) 1991-04-02 US disclosed
EP-0363059-A1 Antiviral oligomers SCHERING CORPORATION (US) 1990-04-11 EP disclosed
WO-1990003384-A1 ANTIVIRAL OLIGOMERS SCHERING CORPORATION (US) 1990-04-05 WO disclosed