SCHEMBL8961002

SCHEMBL8961002

C[C@@]1(CO)COC2(CCCCC2)O1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL2849458 1.00 KDM4E (0.33) KDM4EALDH1A1MAPTEPHX1
SCHEMBL8960784 1.00 KDM4E (0.33) KDM4EALDH1A1MAPTEPHX1
SCHEMBL220206 0.78 EPHX1 (0.40) EPHX1
SCHEMBL3150105 0.78 EPHX1 (0.40) EPHX1
SCHEMBL3150097 0.78 EPHX1 (0.40) EPHX1
SCHEMBL9619211 0.75 EPHX1 (0.50) KDM4EALDH1A1MAPTEPHX1
SCHEMBL11159369 0.74
SCHEMBL9603587 0.72 KDM4E (0.36) KDM4EALDH1A1MAPT
SCHEMBL31274100 0.72 POLB (0.31)
SCHEMBL8960761 0.71 CETP (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388778-B1 Preparation of dioxolane derivatives HOFFMANN LA ROCHE (CH) 1996-01-10 EP claimed
US-5283346-A Chemical intermediate for vitamin e HOFFMANN-LA ROCHE INC. (US) 1994-02-01 US claimed
EP-0388778-B1 Preparation of dioxolane derivatives HOFFMANN LA ROCHE (CH) 1996-01-10 EP disclosed
US-5283346-A Chemical intermediate for vitamin e HOFFMANN-LA ROCHE INC. (US) 1994-02-01 US disclosed
US-5232852-A Enzymatic hydrolysis utilizing a lipase HOFFMANN-LA ROCHE INC. (US) 1993-08-03 US disclosed
EP-0388778-A2 Preparation of dioxolane derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-09-26 EP disclosed