SCHEMBL27809243

SCHEMBL27809243

CCC(CBr)Oc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 11/20 0.40
PPARA Q07869 11/20 0.40
POLB P06746 1/20 0.38
SLC6A4 P31645 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL19088418 0.88 L3MBTL1 (0.44) L3MBTL1PPARGPPARAPOLBSLC6A4
SCHEMBL10875609 0.82 CA1 (0.44) SLC6A4CYP2C9TSHR
SCHEMBL10875297 0.82 L3MBTL1 (0.41) L3MBTL1PPARGPPARAPOLBSLC6A4
SCHEMBL10875177 0.81 PPARG (0.43) L3MBTL1PPARGPPARAPOLBCYP1A2
SCHEMBL22644024 0.81 PPARA (0.43) L3MBTL1PPARGPPARAPOLBSLC6A4
SCHEMBL6164452 0.81 ALDH1A1 (0.38) L3MBTL1PPARGPPARASLC6A4CYP1A2
SCHEMBL7413858 0.80 PPARG (0.40) L3MBTL1PPARGPPARAPOLBSLC6A4
SCHEMBL11463800 0.80 KDM4E (0.37) PPARGPPARAPOLBSLC6A4TSHR
SCHEMBL14665065 0.78 LMNA (0.41) L3MBTL1PPARGPPARAPOLBSLC6A4
SCHEMBL11162895 0.76 ACACB (0.42) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102060765-A Tetrahydroisoquinoline derivative, preparation method and application thereof UNIV CHINA PHARMA 2011-05-18 CN disclosed