SCHEMBL2273423

SCHEMBL2273423

COc1ccc(N=Nc2ccc(OCCCCCCC=C(C)C(=O)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.47
PPARD Q03181 4/20 0.47
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.41
PPARG P37231 2/20 0.41
FFAR1 O14842 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 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
SCHEMBL20719997 1.00 PPARA (0.47) PPARAPPARDMAPTGAAMTNR1A
SCHEMBL1702226 0.89 TP53 (0.53) GAAPOLBL3MBTL1
SCHEMBL28456997 0.88 PPARA (0.43) PPARAPPARDGAAPOLBPPARG
SCHEMBL15226663 0.85 PPARA (0.48) PPARAPPARDPPARG
SCHEMBL15226661 0.85 PPARA (0.48) PPARAPPARDPPARG
SCHEMBL4450813 0.82 PPARA (0.54) PPARAPPARDMAPTMTNR1AMTNR1B
SCHEMBL4450818 0.82 PPARA (0.54) PPARAPPARDMAPTMTNR1AMTNR1B
SCHEMBL17237835 0.81 NR5A1 (0.53) GAAL3MBTL1
SCHEMBL17237799 0.81 NR5A1 (0.53) GAAL3MBTL1
SCHEMBL17556007 0.81 L3MBTL1 (0.50) GAAMTNR1AMTNR1BL3MBTL1

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
US-20110206751-A1 STIMULATABLE ASYMMETRICAL POLYMERSOME INSTITUT CURIE (FR) 2011-08-25 US claimed
US-20110206751-A1 STIMULATABLE ASYMMETRICAL POLYMERSOME INSTITUT CURIE (FR) 2011-08-25 US disclosed