SCHEMBL9019792

SCHEMBL9019792

CC(=O)OCOC(COC1CCCC1)COC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL9197811 0.98 EPHX1 (0.33) EPHX1KDM4E
SCHEMBL2739881 0.80 EPHX1 (0.37) EPHX1
SCHEMBL9575317 0.80 NPC1 (0.34) KDM4E
SCHEMBL24603593 0.78 EPHX1 (0.40) EPHX1
SCHEMBL2739883 0.78 EPHX1 (0.40) EPHX1
SCHEMBL9575545 0.78 NPC1 (0.38) KDM4E
SCHEMBL2466001 0.76 TDP1 (0.42)
SCHEMBL22845686 0.75 KDM4E (0.43) EPHX1KDM4E
SCHEMBL9575677 0.74 KDM4E (0.30) KDM4E
SCHEMBL9575787 0.72 KDM4E (0.32) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452680-B1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AG (DE) 1996-11-06 EP disclosed
EP-0448006-B1 Process for the preparation of acylales HOECHST AG (DE) 1995-01-25 EP disclosed
US-5231221-A PROCESS FOR THE PREPARATION OF ACYLALS HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-27 US disclosed
EP-0452680-A1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-23 EP disclosed
EP-0448006-A2 Process for the preparation of acylales HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-25 EP disclosed