SCHEMBL6589984

SCHEMBL6589984

CC[CH]COCCCCC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.37
LSS P48449 1/20 0.37
CES1 P23141 1/20 0.36

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
SCHEMBL7507293 0.98 CES2 (0.48) CES2HTTMEN1THRBKMT2A
SCHEMBL7517144 0.98 CES2 (0.48) CES2HTTMEN1THRBKMT2A
SCHEMBL8703366 0.98 CES2 (0.48) CES2HTTMEN1THRBKMT2A
SCHEMBL617950 0.92
SCHEMBL11208826 0.88 TSHR (0.46) CES2HTTMEN1THRBKMT2A
SCHEMBL2835917 0.87 THRB (0.50) CES2HTTMEN1THRBKMT2A
SCHEMBL11043780 0.87 THRB (0.50) CES2HTTMEN1THRBKMT2A
SCHEMBL2839085 0.87 THRB (0.50) CES2HTTMEN1THRBKMT2A
SCHEMBL11043138 0.87 THRB (0.50) CES2HTTMEN1THRBKMT2A
SCHEMBL20500857 0.87 THRB (0.50) CES2HTTMEN1THRBKMT2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944623-B1 SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES BASF AG (DE) 2004-09-01 EP disclosed
EP-1200428-A1 SUBSTITUTED BENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-05-02 EP disclosed
WO-2001019820-A1 SUBSTITUTED PYRAZOL-3-YLBENZOXAZINONES BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
WO-2001012625-A2 SUBSTITUTED BENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2001-02-22 WO disclosed
EP-1076660-A1 SUBSTITUTED (4-BROMPYRAZOLE-3-YL)BENZAZOLES BASF AKTIENGESELLSCHAFT (DE) 2001-02-21 EP disclosed
EP-1047693-A1 HERBICIDES 3-(BENZAZOL-4-YL)PYRIMIDINE-DIONE-DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-11-02 EP disclosed
EP-0998472-A1 SUBSTITUTED 2-(BENZOARYL)PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
WO-1999055702-A1 SUBSTITUTED (4-BROMPYRAZOLE-3-YL)BENZAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-11-04 WO disclosed
EP-0944623-A2 SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
WO-1999031091-A1 HERBICIDES 3-(BENZAZOL-4-YL)PYRIMIDINE-DIONE-DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-06-24 WO disclosed
WO-1999006394-A1 SUBSTITUTED 2-(BENZOARYL)PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1999-02-11 WO disclosed
WO-1998027090-A2 SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
EP-0673923-B1 Substituted phenoxymethyl-phenyl-derivatives, process for their preparation and their use as parasiticides and fungicides BASF AG (DE) 1998-05-20 EP disclosed
US-5696161-A Substituted phenoxymethylphenyl derivatives, their preparation and their use for controlling pests and fungi BASF AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5545664-A Substituted phenoxymethylphenyl derivatives, their preparation and their use for controlling pests and fungi BASF AKTIENGESELLSCHAFT (DE) 1996-08-13 US disclosed
EP-0673923-A1 Substituted phenoxymethyl-phenyl-derivatives, process for their preparation and their use as parasiticides and fungicides BASF AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed