SCHEMBL4755505

SCHEMBL4755505

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.43
ACACB O00763 6/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARA Q07869 3/20 0.41
NR1I2 O75469 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4755482 0.90 PPARG (0.47) MEN1KMT2ATDP1ACACBPPARA
SCHEMBL947174 0.85 FFAR1 (0.55) TDP1SMN1; SMN2PPARAPPARGPPARD
SCHEMBL28874725 0.85 LDHA (0.51) MEN1KMT2ATDP1ACACBSMN1; SMN2
SCHEMBL28305791 0.83 CYP2A6 (0.44) MEN1KMT2ATDP1ACACBSMN1; SMN2
SCHEMBL27548183 0.83 SMN1; SMN2 (0.44) MEN1KMT2ATDP1ACACBSMN1; SMN2
SCHEMBL5992779 0.82 PPARA (0.62) MEN1KMT2AACACBPPARAPPARG
SCHEMBL7041549 0.82 MEN1 (0.48) MEN1KMT2ATDP1ACACBTP53
SCHEMBL6818027 0.81 ESR1 (0.46) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4789672 0.81 LTA4H (0.43) MEN1KMT2ATDP1ACACBSMN1; SMN2
SCHEMBL4789667 0.81 LTA4H (0.43) MEN1KMT2ATDP1ACACBSMN1; SMN2

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