SCHEMBL30770597

SCHEMBL30770597

COC(=O)[C@H](C)NP(=O)(Oc1ccc(F)cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 1/20 0.47
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ MAPT P10636 5/20 0.44
▸ GAA P10253 2/20 0.44
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42

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
SCHEMBL18742082 0.94 CA1 (0.51) CA1CA2CES2CES1MAPT
SCHEMBL15343943 0.90 ALDH1A1 (0.48) CA1CA2CES2CES1MAPT
SCHEMBL15343942 0.90 ALDH1A1 (0.48) CA1CA2CES2CES1MAPT
SCHEMBL28841738 0.90 ALDH1A1 (0.48) CA1CA2CES2CES1MAPT
SCHEMBL19361265 0.90 ALDH1A1 (0.48) CA1CA2CES2CES1MAPT
SCHEMBL30770623 0.90 MEN1 (0.41) CA1CA2CES2CES1MAPT
SCHEMBL23440639 0.89 HSPB1 (0.48) HSPB1CA1CA2CES2CES1
SCHEMBL23440636 0.89 HSPB1 (0.48) HSPB1CA1CA2CES2CES1
SCHEMBL30770523 0.89 KDM4E (0.43) CA1CA2CES2CES1MAPT
SCHEMBL30497665 0.89 ALDH1A1 (0.49) CA1CA2CES2CES1MAPT

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-3831388-B1 CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF FOR USE IN SUPPRESSING ADENOVIRUS FUJIFILM CORP (JP) 2024-02-28 — — EP disclosed
Send feedback