SCHEMBL4416169

SCHEMBL4416169

O=C(O)/C=C(\CCCCCCCCO)c1ccc(OCCCCCO)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.48
GAA P10253 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
LSS P48449 2/20 0.46
PLA2G4B P0C869 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 2/20 0.44
RARB P10826 3/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL4425193 0.96 PPARA (0.55) PPARAGAATP53TSHRLSS
SCHEMBL7609890 0.79 L3MBTL1 (0.56) GAATP53TSHRLSSPLA2G4B
SCHEMBL4425597 0.78 PRSS1 (0.49) PPARATSHRPLA2G4B
SCHEMBL4652780 0.78 TP53 (0.72) GAATP53TSHRPLA2G4BL3MBTL1
SCHEMBL4653588 0.78 TP53 (0.72) GAATP53TSHRPLA2G4BL3MBTL1
SCHEMBL223467 0.78 TP53 (0.72) GAATP53TSHRPLA2G4BL3MBTL1
SCHEMBL9106297 0.78 TP53 (0.72) GAATP53TSHRPLA2G4BL3MBTL1
SCHEMBL9221792 0.78 TP53 (0.72) GAATP53TSHRPLA2G4BL3MBTL1
SCHEMBL5478282 0.78 TP53 (0.72) GAATP53TSHRPLA2G4BL3MBTL1
SCHEMBL430092 0.78 TP53 (0.72) GAATP53TSHRPLA2G4BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491752-B2 Photoactive materials ROLIC AG (CH) 2009-02-17 US claimed
US-20040265742-A1 Photoactive materials ROLIC AG (CH) 2004-12-30 US claimed
US-7491752-B2 Photoactive materials ROLIC AG (CH) 2009-02-17 US disclosed
US-20040265742-A1 Photoactive materials ROLIC AG (CH) 2004-12-30 US disclosed