SCHEMBL30168068

SCHEMBL30168068

O=Cc1c([N+](=O)[O-])cc(CCO)c(CCO)c1CCO

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
SNCA P37840 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ERN1 O75460 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
VCAM1 P19320 2/20 0.32
CA2 P00918 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL30168082 0.79 TSHR (0.42) XDHALDH5A1ABATSNCATSHR
SCHEMBL28961939 0.74 ERN1 (0.47) TSHRALDH1A1ERN1LMNA
SCHEMBL30208604 0.70 ALDH5A1 (0.54) XDHALDH5A1ABATTSHRALDH1A1
SCHEMBL28621032 0.70 ALDH5A1 (0.54) XDHALDH5A1ABATTSHRALDH1A1
SCHEMBL16710807 0.68 MAPT (0.35) SNCATSHRALDH1A1KDM4ELMNA
SCHEMBL16710803 0.68 MERTK (0.36) TSHRALDH1A1VCAM1
SCHEMBL10716436 0.67 ALDH1A1 (0.43) SNCATSHRALDH1A1KDM4E
SCHEMBL95482 0.67 ALDH1A1 (0.53) TSHRALDH1A1KDM4ELMNACA2
SCHEMBL16838216 0.66 XDH (0.48) XDHALDH5A1ABATERN1VCAM1
SCHEMBL9102939 0.66 ALOX15 (0.43) SNCATSHRALDH1A1KDM4ELMNA

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-115583914-A Photosensitive compound and preparation method and application thereof 深圳先进电子材料国际创新研究院 2023-01-10 CN disclosed