SCHEMBL7507293

SCHEMBL7507293

CC[CH]COCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.48
HTT P42858 2/20 0.46
THRB P10828 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.41
CES1 P23141 1/20 0.39
LSS P48449 1/20 0.39
TSHR P16473 2/20 0.38
SPHK1 Q9NYA1 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
SCHEMBL8703366 1.00 CES2 (0.48) CES2HTTTHRBMEN1KMT2A
SCHEMBL7517144 1.00 CES2 (0.48) CES2HTTTHRBMEN1KMT2A
SCHEMBL6589984 0.98 CES2 (0.45) CES2HTTTHRBMEN1KMT2A
SCHEMBL2842977 0.90 THRB (0.50) CES2HTTTHRBMEN1KMT2A
SCHEMBL2835917 0.90 THRB (0.50) CES2HTTTHRBMEN1KMT2A
SCHEMBL2839085 0.90 THRB (0.50) CES2HTTTHRBMEN1KMT2A
SCHEMBL11043780 0.90 THRB (0.50) CES2HTTTHRBMEN1KMT2A
SCHEMBL11043138 0.90 THRB (0.50) CES2HTTTHRBMEN1KMT2A
SCHEMBL20500857 0.90 THRB (0.50) CES2HTTTHRBMEN1KMT2A
SCHEMBL617950 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0915853-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-05-19 EP disclosed
WO-1999006394-A1 SUBSTITUTED 2-(BENZOARYL)PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1999-02-11 WO disclosed
WO-1998038169-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-09-03 WO disclosed
WO-1998027090-A2 SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
WO-1998005649-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-02-12 WO disclosed