SCHEMBL8990330

SCHEMBL8990330

CCOP(=O)(OCC)[C@H](CCCOCc1ccccc1)OCn1cnc2c(Cl)nc(N)nc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 1/20 0.38
HSP90AA1 P07900 9/20 0.37
HSP90AB1 P08238 9/20 0.37
HDAC6 Q9UBN7 5/20 0.37
HDAC4 P56524 1/20 0.37
HPRT1 P00492 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL8990328 1.00 HDAC1 (0.38) HDAC1HDAC2HSP90AA1HSP90AB1HDAC6
SCHEMBL9537324 0.80 HDAC1 (0.38) HDAC1HDAC2HSP90AA1HSP90AB1HDAC6
SCHEMBL10996722 0.78 HDAC1 (0.47) HDAC1HDAC2HSP90AA1HSP90AB1HDAC6
SCHEMBL8816230 0.72 HDAC1 (0.35) HDAC1HDAC2HSP90AA1HSP90AB1HDAC6
SCHEMBL9504476 0.72 PNP (0.55) HDAC1HDAC2HSP90AA1HSP90AB1HDAC6
SCHEMBL28902018 0.71 HSP90AB1 (0.44) HDAC1HSP90AA1HSP90AB1HDAC6HDAC4
SCHEMBL10510295 0.71 HDAC1 (0.44) HDAC1HDAC2HSP90AA1HSP90AB1HDAC6
SCHEMBL8904140 0.71 HDAC1 (0.45) HDAC1HDAC2HSP90AA1HSP90AB1HDAC6
SCHEMBL10044385 0.69 FGFR1 (0.51) HDAC1HDAC2HDAC6HDAC4HPRT1
SCHEMBL10508890 0.69 HDAC1 (0.46) HDAC1HDAC2HSP90AA1HSP90AB1HDAC6

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
US-5532225-A TREATMENT OF HERPES VIRUS SRI INTERNATIONAL (US) 1996-07-02 US disclosed
WO-1994003466-A1 ACYCLIC PURINE PHOSPHONATE NUCLEOTIDE ANALOGS AS ANTIVIRAL AGENTS, AND RELATED SYNTHETIC METHODS SRI INTERNATIONAL (US) 1994-02-17 WO disclosed