SCHEMBL28403113

SCHEMBL28403113

COCCOCCOc1ccccc1C(C(C)C)S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
ALDH1A1 P00352 6/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 3/20 0.39
PTK2B Q14289 1/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL10224215 0.73 L3MBTL1 (0.58) HTTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL4101620 0.73 L3MBTL1 (0.61) ALDH1A1LMNAKDM4ESMN1; SMN2POLB
SCHEMBL5349206 0.73 L3MBTL1 (0.61) ALDH1A1LMNAKDM4ESMN1; SMN2POLB
SCHEMBL18309273 0.71 L3MBTL1 (0.55) HTTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL28813039 0.70 L3MBTL1 (0.44) HTTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL27082331 0.70 L3MBTL1 (0.63) ALDH1A1LMNAKDM4ESMN1; SMN2POLB
SCHEMBL8867967 0.70 L3MBTL1 (0.63) ALDH1A1LMNAKDM4ESMN1; SMN2POLB
SCHEMBL29931968 0.70 ALDH1A1 (0.45) ALDH1A1LMNAKDM4ESMN1; SMN2POLB
SCHEMBL28867499 0.69 L3MBTL1 (0.46) ALDH1A1LMNAKDM4ESMN1; SMN2POLB
SCHEMBL8868136 0.69 L3MBTL1 (0.46) ALDH1A1LMNAKDM4ESMN1; SMN2POLB

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
CN-111247461-B Photonic upconversion film and method for manufacturing same 和歌山县 2021-12-28 CN disclosed
CN-111247461-A Photonic upconversion film and method for manufacturing same 和歌山县 2020-06-05 CN disclosed