SCHEMBL28224182

SCHEMBL28224182

CC(=O)c1ccc(OCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.78
RXRA P19793 1/20 0.78
RXRB P28702 1/20 0.78
MAOB P27338 10/20 0.76
MAOA P21397 2/20 0.68
ALDH1A1 P00352 1/20 0.64
HTT P42858 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
APP P05067 1/20 0.62
HRH3 Q9Y5N1 4/20 0.59
NR4A1 P22736 1/20 0.58
NR4A3 Q92570 1/20 0.58
EPHX2 P34913 1/20 0.57
NR1H4 Q96RI1 1/20 0.57

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
SCHEMBL9813418 0.88 RXRA (1.00) NR4A2RXRARXRBMAOBSMN1; SMN2
SCHEMBL8459965 0.88 RXRA (1.00) NR4A2RXRARXRBMAOBSMN1; SMN2
SCHEMBL18002926 0.86 MAOB (1.00) NR4A2RXRARXRBMAOBMAOA
SCHEMBL5278933 0.85 L3MBTL1 (0.68) NR4A2RXRARXRBMAOBALDH1A1
SCHEMBL10396483 0.85 NR4A2 (0.74) NR4A2RXRARXRBMAOBALDH1A1
SCHEMBL9509148 0.85 NR4A2 (0.74) NR4A2RXRARXRBMAOBHTT
SCHEMBL13439695 0.85 NR4A2 (0.74) NR4A2RXRARXRBMAOBALDH1A1
SCHEMBL22275947 0.85 APP (0.82) NR4A2RXRARXRBMAOBSMN1; SMN2
SCHEMBL11724714 0.84 L3MBTL1 (0.71) NR4A2RXRARXRBMAOBALDH1A1
SCHEMBL11723107 0.84 L3MBTL1 (0.77) NR4A2RXRARXRBMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108191624-A A kind of UV-blue light absorbent and UV-blue light absorbing material 广东省石油与精细化工研究院 2018-06-22 CN disclosed