SCHEMBL8618091

SCHEMBL8618091

CCC1(O)CCc2c(C)c(OC(C)=O)c(C)c(C)c2O1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ PDE4A P27815 1/20 0.54
▸ PDE3A Q14432 1/20 0.54
▸ TTPA P49638 3/20 0.52
▸ ALOX5 P09917 1/20 0.51
▸ PSEN1 P49768 11/20 0.44
▸ PTPN1 P18031 1/20 0.40
▸ GSTO1 P78417 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL14168733 0.86 MEN1 (0.64) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL7331108 0.84 MEN1 (0.55) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL8614843 0.84 MEN1 (0.50) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL5268436 0.82 MEN1 (0.56) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL8376060 0.81 MEN1 (0.64) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL8380309 0.80 TTPA (0.69) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL10535364 0.80 MEN1 (0.54) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL10724905 0.80 MEN1 (0.62) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL8843005 0.80 MEN1 (0.62) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL9656784 0.80 MEN1 (0.62) MEN1KMT2APDE4APDE3ATTPA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0718295-B1 Lactones with antioxidising and hypolipidaemic activity useful in the therapy of the atherosclerosis ALFA WASSERMANN SPA (IT) 1998-04-22 — — EP disclosed
US-5608084-A AND VASCULAR PATHOLOGIES; MULTISTEP PREPARATION BY REACTING A HYDROQUINONE WITH ALKYL VINYL KETONE, ESTERIFYING HYDROXY 3,4-DIHYDRO-2H-1-BENZOPYRAN, DEMETHYLATING ETHER, REACTING WITH ALKYL 5-BROMOPENTANOATE, HYDROLYZING, TWO MORE STEPS ALFA WASSERMANN S.P.A. (IT) 1997-03-04 — — US disclosed
EP-0718295-A1 Lactones with antioxidising and hypolipidaemic activity useful in the therapy of the atherosclerosis ALFA WASSERMANN S.p.A. (IT) 1996-06-26 — — EP disclosed
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