SCHEMBL8747784

SCHEMBL8747784

Cc1c(C)c2c(c(C)c1O)CCC(C)(CCN(C)C)O2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
LMNA P02545 3/20 0.59
USP2 O75604 2/20 0.59
CYP2C9 P11712 2/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
GSTP1 P09211 1/20 0.59
TTPA P49638 1/20 0.59
THRB P10828 1/20 0.59
CYP2C19 P33261 1/20 0.59
NR1I2 O75469 2/20 0.58
ALOX5 P09917 5/20 0.54
CYP4F2 P78329 1/20 0.52
CYP3A4 P08684 2/20 0.51
TSHR P16473 2/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
CYP1A2 P05177 1/20 0.51
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44

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 SCHEMBL9096130 0.99 MAPT (0.58) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL8747767 0.92 MAPT (0.63) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL9096805 0.85 MAPT (0.46) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL10367687 0.84 MAPT (0.49) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL8935461 0.84 NR1I2 (0.65) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL30859422 0.84 NR1I2 (0.65) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL27295634 0.84 MAPT (0.63) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL8935467 0.84 NR1I2 (0.65) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL4271100 0.84 NR1I2 (0.65) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL10641369 0.83 MAPT (0.62) MAPTLMNAUSP2CYP2C9KMT2A

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
EP-0586518-A1 CHOLESTEROL-LOWERING TOCOPHEROL ANALOGS. MERRELL DOW PHARMA (US) 1994-03-16 EP claimed
WO-1992021336-A1 CHOLESTEROL-LOWERING TOCOPHEROL ANALOGS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-12-10 WO 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
US-5135945-A Cholesterol-lowering tocopherol analogs MERRELL DOW PHARMACEUTICALS INC. (US) 1992-08-04 US disclosed