SCHEMBL7209913

SCHEMBL7209913

CC[C@H](Oc1ccc(Cl)cc1C)C(=O)S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HTT P42858 3/20 0.47
MAPT P10636 3/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PPARA Q07869 1/20 0.45
TRPM4 Q8TD43 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL2597640 0.87 TSHR (0.66) TSHRHTR2AHTR2CHTR2BLMNA
SCHEMBL2210931 0.87 TSHR (0.66) TSHRHTR2AHTR2CHTR2BLMNA
SCHEMBL1935421 0.85 TSHR (0.56) TSHRHTR2AHTR2CHTR2BLMNA
SCHEMBL28257746 0.84 TSHR (0.55) TSHRHTR2AHTR2CHTR2BLMNA
SCHEMBL28953953 0.84 TSHR (0.55) TSHRHTR2AHTR2CHTR2BLMNA
SCHEMBL28593031 0.84 TSHR (0.55) TSHRHTR2AHTR2CHTR2BLMNA
Dimethylamine SCHEMBL28258492 0.83 TSHR (0.61) TSHRHTR2AHTR2CHTR2BLMNA
SCHEMBL28252831 0.82 TSHR (0.56) TSHRHTR2AHTR2CHTR2BLMNA
SCHEMBL28498295 0.79 TSHR (0.49) TSHRHTR2AHTR2CHTR2BLMNA
SCHEMBL5492481 0.77 TSHR (0.53) TSHRHTR2AHTR2CHTR2BLMNA

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
JP-60152403-A None JP disclosed
EP-0736019-B1 1,3-OXAZIN-4-ONE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES MITSUBISHI CHEM CORP (JP) 2003-05-28 EP disclosed
US-5977025-A CONTROLLING WEEDS MITSUBISHI CHEMICAL CORPORATION (JP) 1999-11-02 US disclosed
EP-0657099-B1 Herbicidal composition RHONE POULENC AGROCHIMIE (FR) 1998-11-04 EP disclosed
EP-0657099-A1 Herbicidal composition RHONE-POULENC AGROCHIMIE (FR) 1995-06-14 EP disclosed
JP-S60152403-A HERBICIDE COMPOSITION FOR PADDY FIELD JAPAN CARLIT CO LTD:THE 1985-08-10 JP disclosed