SCHEMBL8747765

SCHEMBL8747765

Cc1cc2c(c(C)c1O)CCC(C)(CCN(C)C)O2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
TTPA P49638 2/20 0.37
MEN1 O00255 1/20 0.37
GSTP1 P09211 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
AKT1 P31749 5/20 0.37
NR1I2 O75469 2/20 0.37
ALOX5 P09917 6/20 0.36
CYP4F2 P78329 1/20 0.35
BCHE P06276 1/20 0.34
PDPK1 O15530 1/20 0.34
PHLPP1 O60346 1/20 0.34
ILK Q13418 1/20 0.34

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
SCHEMBL4279085 0.85 NR1I2 (0.41) MAPTLMNATTPAMEN1GSTP1
SCHEMBL4285412 0.82 NR1I2 (0.38) MAPTLMNATTPAMEN1GSTP1
SCHEMBL8746263 0.82 MAPT (0.37) MAPTLMNATTPAMEN1GSTP1
SCHEMBL4271053 0.81 ALOX5 (0.47) MAPTLMNATTPAMEN1GSTP1
Bromide SCHEMBL8603327 0.81 LMNA (0.44) MAPTLMNATTPAMEN1GSTP1
Bromide SCHEMBL9096853 0.81 NR1I2 (0.38) MAPTLMNATTPAMEN1GSTP1
SCHEMBL15833932 0.78 AKT1 (0.55) MAPTLMNATTPAMEN1GSTP1
SCHEMBL8747784 0.77 MAPT (0.59) MAPTLMNATTPAMEN1GSTP1
SCHEMBL8747773 0.77 ALOX5 (0.56) MAPTLMNATTPAMEN1GSTP1
SCHEMBL1258674 0.76 LMNA (0.67) MAPTLMNATTPAMEN1GSTP1

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 7 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
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-0369874-A2 Cardioprotective tocopherol analogs MERRELL DOW PHARMACEUTICALS INC. (US) 1990-05-23 EP disclosed
EP-0369082-A1 Cardioprotective tocopherol analogs MERRELL DOW PHARMACEUTICALS INC. (US) 1990-05-23 EP disclosed