SCHEMBL7057276

SCHEMBL7057276

CCC1(CC2(c3ccc(Cl)cc3)CO2)C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 7/20 0.42
PGR P06401 2/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MDM2 Q00987 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
AGTR1 P30556 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2622454 0.89 MAPT (0.39) ALDH1A1MAPTNPSR1ALOX12SMN1; SMN2
SCHEMBL13953151 0.88 PGR (0.34) UTS2RPGRALDH1A1MAPTNPSR1
(Rs)-Indanofan SCHEMBL65575 0.86 SLC6A3 (0.40) PGRALDH1A1MAPTNPSR1HTT
(Rs)-Indanofan SCHEMBL28281074 0.85 SLC6A3 (0.39) PGRALDH1A1MAPTNPSR1HTT
SCHEMBL2622466 0.84 PGR (0.32) UTS2RPGRALDH1A1MAPTNPSR1
SCHEMBL7057272 0.81 GRIN1 (0.40) PGRALDH1A1MAPTNPSR1LMNA
SCHEMBL2622458 0.79 NPSR1 (0.43) UTS2RALDH1A1MAPTNPSR1LMNA
SCHEMBL13953152 0.77 SLC6A3 (0.37) PGR
SCHEMBL10876682 0.74 SLC6A4 (0.40) UTS2R
(Rs)-Indanofan SCHEMBL14655558 0.72 HCAR3 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791050-B2 Herbicidal compositions BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-29 US disclosed
US-8765638-B2 Herbicidal compositions BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-01 US disclosed
US-20130143743-A1 HERBICIDAL COMPOSITIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-06 US disclosed
US-20130130899-A1 HERBICIDAL COMPOSITIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-23 US disclosed
US-8357629-B2 Herbicidal compositions BAYER CROPSCIENCE AG (DE) 2013-01-22 US disclosed
US-20030069138-A1 Synergistic herbicidal mixture of a). a heteroaryloxy- or aryloxy-phenoxypropionic acid, or salt or ester and b). one or more herbicides that are selective in rice BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-04-10 US disclosed
US-20020123428-A1 Can be used against harmful plants in crops, preferably in rice AVENTIS CROPSCIENCE GMBH (DE) 2002-09-05 US disclosed
EP-1104232-A2 HERBICIDES Aventis CropScience GmbH (DE) 2001-06-06 EP disclosed
WO-2000003591-A2 HERBICIDES AVENTIS CROPSCIENCE GMBH (DE) 2000-01-27 WO disclosed