SCHEMBL1702226

SCHEMBL1702226

CC(=CCCCCCCOc1ccc(N=Nc2ccc(C(=O)O)cc2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
PLA2G4B P0C869 6/20 0.52
RARB P10826 4/20 0.50
HTT P42858 3/20 0.50
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PLA2G4A P47712 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL2273423 0.89 PPARA (0.47) POLBL3MBTL1GAA
SCHEMBL20719997 0.89 PPARA (0.47) POLBL3MBTL1GAA
SCHEMBL28456997 0.87 PPARA (0.43) TP53TSHRHTTPOLBAPEX1
SCHEMBL15226661 0.84 PPARA (0.48) TP53TSHRPLA2G4B
SCHEMBL15226663 0.84 PPARA (0.48) TP53TSHRPLA2G4B
SCHEMBL4450818 0.81 PPARA (0.54) L3MBTL1
SCHEMBL4450813 0.81 PPARA (0.54) L3MBTL1
SCHEMBL17237835 0.80 NR5A1 (0.53) TP53TSHRL3MBTL1GAA
SCHEMBL17237799 0.80 NR5A1 (0.53) TP53TSHRL3MBTL1GAA
SCHEMBL9133405 0.80 TP53 (0.82) TP53TSHRPLA2G4BRARBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9158134-B2 Light-sensitive compound, polymer polymerized with light-sensitive compound and preparation method thereof INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2015-10-13 US disclosed
US-20130188120-A1 COMPOUND HAVING PHOTOSENSITIVITY, POLYMER FORMED BY POLYMERIZING THE COMPOUND, AND PRODUCTION METHOD THEREOF INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2013-07-25 US disclosed
WO-2012002590-A1 COMPOUND HAVING PHOTOSENSITIVITY, POLYMER FORMED BY POLYMERIZING THE COMPOUND, AND PRODUCTION METHOD THEREOF 한양대학교 산학협력단 (KR) 2012-01-05 WO disclosed