SCHEMBL299527

SCHEMBL299527

CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(O)(O)C(C)(C)C1CC3

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.75
CRYAB P02511 3/20 0.75
USP2 O75604 2/20 0.75
ALDH1A1 P00352 2/20 0.75
CYP3A4 P08684 2/20 0.75
ALOX15 P16050 2/20 0.75
LMNA P02545 1/20 0.75
FNTA P49354 1/20 0.72
FNTB P49356 1/20 0.72
PTGES O14684 4/20 0.60
MEN1 O00255 1/20 0.60
PLA2G1B P04054 1/20 0.60
DNMT1 P26358 1/20 0.60
BLM P54132 1/20 0.60
KMT2A Q03164 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60
PREP P48147 1/20 0.58
PIN1 Q13526 1/20 0.58
CRYAA P02489 1/20 0.53
ACHE P22303 1/20 0.49

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
SCHEMBL8098744 0.89 MAPT (0.70) MAPTCRYABUSP2ALDH1A1CYP3A4
SCHEMBL7166934 0.87 CRYAB (0.70) MAPTCRYABUSP2ALDH1A1CYP3A4
SCHEMBL16249832 0.86 MAPT (0.78) MAPTCRYABUSP2ALDH1A1CYP3A4
Lanosterol SCHEMBL14360758 0.86 MAPT (1.00) MAPTCRYABUSP2ALDH1A1CYP3A4
SCHEMBL2370125 0.86 MAPT (0.78) MAPTCRYABUSP2ALDH1A1CYP3A4
Lanosterol SCHEMBL2154745 0.86 MAPT (1.00) MAPTCRYABUSP2ALDH1A1CYP3A4
Lanosterol SCHEMBL145835 0.86 MAPT (1.00) MAPTCRYABUSP2ALDH1A1CYP3A4
Lanosterol SCHEMBL1696473 0.86 MAPT (1.00) MAPTCRYABUSP2ALDH1A1CYP3A4
Lanosterol SCHEMBL21348006 0.86 MAPT (1.00) MAPTCRYABUSP2ALDH1A1CYP3A4
Lanosterol SCHEMBL19194030 0.86 MAPT (1.00) MAPTCRYABUSP2ALDH1A1CYP3A4

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-2427773-A1 METHOD OF DIAGNOSING ASPHYXIA Keller, Matthias (DE) 2012-03-14 EP disclosed
WO-2010128054-A1 METHOD OF DIAGNOSING ASPHYXIA BIOCRATES LIFE SCIENCES AG (AT) 2010-11-11 WO disclosed
EP-1451132-A4 CHEMICAL SYNTHESIS UNIV WAIKATO (NZ) 2006-02-08 EP disclosed
US-20050038301-A1 Producing vicinal diols; reacting with hydroxyl group donor and reducing acidic agent UNIVERSITY OF WAIKATO, THE (NZ) 2005-02-17 US disclosed
EP-1451132-A1 CHEMICAL SYNTHESIS THE UNIVERSITY OF WAIKATO (NZ) 2004-09-01 EP disclosed
WO-2003040066-A1 CHEMICAL SYNTHESIS THE UNIVERSITY OF WAIKATO (NZ) 2003-05-15 WO disclosed