SCHEMBL6130526

SCHEMBL6130526

CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3.CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
USP2 O75604 2/20 1.00
ALDH1A1 P00352 2/20 1.00
CYP3A4 P08684 2/20 1.00
ALOX15 P16050 2/20 1.00
PTGES O14684 4/20 0.84
CRYAB P02511 2/20 0.75
LMNA P02545 1/20 0.75
FNTA P49354 1/20 0.69
FNTB P49356 1/20 0.69
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 0.59
PIN1 Q13526 1/20 0.59
BACE1 P56817 1/20 0.56
CRYAA P02489 1/20 0.54

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
SCHEMBL19194140 1.00 MAPT (1.00) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL17431708 1.00 MAPT (1.00) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL415761 1.00 MAPT (1.00) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL5666302 1.00 MAPT (1.00) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL2340127 1.00 MAPT (1.00) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL415760 1.00 MAPT (1.00) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL20990912 0.92 MAPT (0.85) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL4735043 0.92 MAPT (0.85) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL21183478 0.92 MAPT (0.85) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL21149075 0.92 MAPT (0.85) MAPTUSP2ALDH1A1CYP3A4ALOX15

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-1438324-A4 COHALOGENATIONS OF SELECTED DOUBLE BONDED COMPOUNDS USING N-HALO-SUCCINIMIDE. UNIV WAIKATO (NZ) 2005-06-22 EP disclosed
EP-1438324-A1 COHALOGENATIONS OF SELECTED DOUBLE BONDED COMPOUNDS USING N-HALO-SUCCINIMIDE. The University of Waikato (NZ) 2004-07-21 EP disclosed
WO-2003027133-A1 COHALOGENATIONS OF SELECTED DOUBLE BONDED COMPOUNDS USING N-HALO-SUCCINIMIDE. THE UNIVERSITY OF WAIKATO (NZ) 2003-04-03 WO disclosed