SCHEMBL28539307

SCHEMBL28539307

O=[N+]([O-])c1cc(COCCI)ccc1CO

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.38
ALDH1A1 P00352 6/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TTR P02766 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
HTT P42858 2/20 0.33
PDK1 Q15118 1/20 0.33
CXCR4 P61073 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL26458399 0.80 SMN1; SMN2 (0.43) SNCAALDH1A1MAPTCYP1A2POLB
SCHEMBL1589851 0.78 ALDH1A1 (0.51) SNCAALDH1A1MAPTCYP1A2POLB
SCHEMBL31612277 0.78 ALDH1A1 (0.51) SNCAALDH1A1MAPTCYP1A2POLB
SCHEMBL28538350 0.78 ALDH1A1 (0.38) ALDH1A1MAPTCYP1A2TDP1CXCR4
SCHEMBL28539400 0.77 MGLL (0.36) SNCAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL28536856 0.76 ALDH1A1 (0.39) SNCAALDH1A1MAPTCYP1A2POLB
SCHEMBL16147602 0.74 TSHR (0.49) SNCAALDH1A1MAPTCYP1A2POLB
SCHEMBL9488274 0.74 TSHR (0.53) SNCAALDH1A1MAPTCYP1A2POLB
SCHEMBL28910177 0.74 ALDH1A1 (0.48) SNCAALDH1A1MAPTCYP1A2POLB
SCHEMBL28539053 0.73 ALDH1A1 (0.37) SNCAALDH1A1MAPTCYP1A2TDP1

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-112574089-B Photo-induced multifunctional crosslinking agent, preparation method and application thereof 中国科学院上海药物研究所 2023-09-05 CN disclosed
CN-112574089-A Photoinduced multifunctional cross-linking agent, and preparation method and application thereof 中国科学院上海药物研究所 2021-03-30 CN disclosed