SCHEMBL28575137

SCHEMBL28575137

C=C(C(=O)O)C(CC)Sc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
ALOX5 P09917 2/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
LMNA P02545 4/20 0.39
PAX8 Q06710 1/20 0.39
PTGES O14684 1/20 0.37
MAPT P10636 2/20 0.37
XBP1 P17861 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 1/20 0.36
FFAR1 O14842 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
SCHEMBL28965956 0.87 HTT (0.51) HTTALDH1A1POLBGAAALOX5
SCHEMBL1931269 0.82 HTT (0.71) HTTALDH1A1POLBKDM4EGAA
SCHEMBL9099120 0.82 HTT (0.71) HTTALDH1A1POLBKDM4EGAA
SCHEMBL10968878 0.79 CYP1A2 (0.44) ALDH1A1POLBKDM4ESMN1; SMN2ALOX5
SCHEMBL3959622 0.79 HTT (0.53) HTTALDH1A1POLBKDM4EGAA
SCHEMBL11008174 0.79 HTT (0.53) HTTALDH1A1POLBKDM4EGAA
SCHEMBL11864076 0.78 ALDH1A1 (0.49) HTTALDH1A1POLBKDM4EGAA
SCHEMBL41189 0.77 LMNA (0.45) ALDH1A1POLBKDM4EGAAL3MBTL1
SCHEMBL9184304 0.76 HTT (0.49) HTTALDH1A1POLBKDM4EGAA
SCHEMBL28498008 0.72 POLB (0.41) ALDH1A1POLBKDM4EL3MBTL1ALOX5

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
CN-113527143-B Writing monomer, preparation method thereof, photopolymer composition and grating thereof 杭州光粒科技有限公司 2023-06-20 CN disclosed
CN-112759698-B Photopolymer composition, transmission type diffraction grating and preparation method thereof 杭州光粒科技有限公司 2023-01-10 CN disclosed
CN-113527143-A Writing monomer and preparation method thereof, and photopolymer composition and grating thereof 杭州光粒科技有限公司 2021-10-22 CN disclosed
CN-112759698-A Photopolymer composition, transmission type diffraction grating and preparation method thereof 杭州光粒科技有限公司 2021-05-07 CN disclosed