SCHEMBL4755482

SCHEMBL4755482

CCOC(=O)C(C#N)Cc1ccc(OCCBr)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
ACACB O00763 7/20 0.40
PPARA Q07869 3/20 0.40
PPARD Q03181 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4755505 0.90 MEN1 (0.45) PPARGMEN1KMT2ATDP1ACACB
SCHEMBL947174 0.83 FFAR1 (0.55) PPARGTDP1PPARAPPARDLMNA
SCHEMBL28874725 0.82 LDHA (0.51) PPARGMEN1KMT2ATDP1ACACB
SCHEMBL28305791 0.81 CYP2A6 (0.44) MEN1KMT2ATDP1ACACBLMNA
SCHEMBL27548183 0.81 SMN1; SMN2 (0.44) PPARGMEN1KMT2ATDP1ACACB
SCHEMBL5992779 0.80 PPARA (0.62) PPARGMEN1KMT2AACACBPPARA
SCHEMBL6818027 0.79 ESR1 (0.46) MEN1KMT2AL3MBTL1
SCHEMBL6387457 0.79 PPARA (0.56) PPARGPPARAPPARD
SCHEMBL5382747 0.79 PPARA (0.51) PPARGMEN1KMT2ATDP1PPARA
SCHEMBL5015533 0.79 PPARA (0.56) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 WO disclosed
WO-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 WO disclosed