SCHEMBL7413858

SCHEMBL7413858

CCC(Br)Oc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.40
PPARA Q07869 10/20 0.40
POLB P06746 1/20 0.40
SLC6A4 P31645 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
P2RX3 P56373 1/20 0.37
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 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
SCHEMBL17911630 0.89 ESR1 (0.39) PPARGPPARAPOLBCYP1A2CYP2D6
SCHEMBL11241942 0.84 PPARA (0.41) PPARGPPARAPOLBSLC6A4L3MBTL1
SCHEMBL27809243 0.80 L3MBTL1 (0.40) PPARGPPARAPOLBSLC6A4L3MBTL1
SCHEMBL4258653 0.79 ALDH1A1 (0.40) PPARGPPARASLC6A4L3MBTL1CYP1A2
SCHEMBL2106186 0.79 ALDH1A1 (0.40) PPARGPPARASLC6A4L3MBTL1CYP1A2
SCHEMBL19088418 0.78 L3MBTL1 (0.44) PPARGPPARAPOLBSLC6A4L3MBTL1
SCHEMBL1109844 0.78 SLC6A4 (0.39) PPARGPPARASLC6A4TSHRNPSR1
SCHEMBL11096221 0.78 PPARA (0.46) PPARGPPARASLC6A4GAA
SCHEMBL13123958 0.77 PPARA (0.41) PPARGPPARAPOLBSLC6A4L3MBTL1
SCHEMBL9191274 0.77 SIGMAR1 (0.49) PPARGPPARAPOLBL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053233-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2000-11-22 EP disclosed
WO-1999040080-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 1999-08-12 WO disclosed
US-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 US disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP disclosed
EP-0049060-A1 Imidazoles BEECHAM GROUP PLC (GB) 1982-04-07 EP disclosed