SCHEMBL8747835

SCHEMBL8747835

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCN(C)C)O2

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
PDE4A P27815 1/20 0.64
PDE3A Q14432 1/20 0.64
TTPA P49638 4/20 0.48
GSTO1 P78417 2/20 0.48
PTPN1 P18031 1/20 0.48
ALOX5 P09917 4/20 0.48
PSEN1 P49768 3/20 0.46
NR1I2 O75469 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
GSTP1 P09211 1/20 0.40
USP2 O75604 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL3151645 0.99 MEN1 (0.62) MEN1KMT2APDE4APDE3ATTPA
Hydrochloric Acid SCHEMBL3155208 0.98 MEN1 (0.61) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL8747830 0.87 MEN1 (0.50) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL8377650 0.86 MEN1 (0.67) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL8601254 0.85 MEN1 (0.66) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL3096678 0.84 MEN1 (0.65) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL13156985 0.84 MEN1 (0.65) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL8484326 0.84 MEN1 (0.56) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL14168733 0.84 MEN1 (0.64) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL8376060 0.84 MEN1 (0.64) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586518-B1 CHOLESTEROL-LOWERING TOCOPHEROL ANALOGS MERRELL PHARMA INC (US) 1997-03-12 EP claimed
US-5135945-A Cholesterol-lowering tocopherol analogs MERRELL DOW PHARMACEUTICALS INC. (US) 1992-08-04 US claimed
EP-0586518-B1 CHOLESTEROL-LOWERING TOCOPHEROL ANALOGS MERRELL PHARMA INC (US) 1997-03-12 EP disclosed
US-5500444-A FREE RADICAL SCAVENGERS; CYTOPROTECTIVE, ANTIINFLAMMATORY, AND ANTIISCHEMIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-03-19 US disclosed
EP-0369874-B1 Cardioprotective tocopherol analogs MERRELL DOW PHARMA (US) 1995-02-22 EP disclosed
US-5135945-A Cholesterol-lowering tocopherol analogs MERRELL DOW PHARMACEUTICALS INC. (US) 1992-08-04 US disclosed
EP-0369082-A1 Cardioprotective tocopherol analogs MERRELL DOW PHARMACEUTICALS INC. (US) 1990-05-23 EP disclosed
EP-0369083-A1 Cardioprotective tocopherol analogs MERRELL DOW PHARMACEUTICALS INC. (US) 1990-05-23 EP disclosed