SCHEMBL6548042

SCHEMBL6548042

CCC(Sc1cccc(C(F)(F)F)c1)C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
KDM4E B2RXH2 1/20 0.44
EPHX1 P07099 5/20 0.43
POLB P06746 3/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL6549986 0.87 PPARG (0.53) ALDH1A1GAAATML3MBTL1PTGES
Hydrochloric Acid SCHEMBL6548048 0.86 PPARG (0.52) ALDH1A1GAAATML3MBTL1PTGES
SCHEMBL11008174 0.77 HTT (0.53) ALDH1A1GAAL3MBTL1PTGESALOX5
SCHEMBL9325352 0.76 HTR2A (0.50) ALDH1A1GAAATML3MBTL1KDM4E
SCHEMBL6956928 0.73 CES2 (0.47) ALDH1A1GAAATML3MBTL1PPARG
SCHEMBL17074475 0.73 HTR2A (0.46) ALDH1A1GAAATML3MBTL1KDM4E
SCHEMBL10297511 0.72 HTR2A (0.47) ALDH1A1GAAATML3MBTL1KDM4E
SCHEMBL11097142 0.72 ATM (0.46) ALDH1A1GAAATML3MBTL1PTGES
SCHEMBL28975159 0.71 HTR2A (0.46) ALDH1A1GAAATML3MBTL1KDM4E
SCHEMBL5095404 0.70 HTR2A (0.55) GAAPPARGPPARAEPHX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1180515-B9 BENZOXAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND HERBICIDES UBE INDUSTRIES (JP) 2004-12-01 EP disclosed
EP-1180515-B1 BENZOXAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND HERBICIDES UBE INDUSTRIES (JP) 2004-04-14 EP disclosed
US-6706664-B1 Benzoxazole compounds, process for the preparation thereof and herbicides UBE INDUSTRIES, LTD. (JP) 2004-03-16 US disclosed
EP-1180515-A1 BENZOXAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND HERBICIDES Ube Industries, Ltd. (JP) 2002-02-20 EP disclosed