SCHEMBL30168082

SCHEMBL30168082

O=Cc1c(CCO)cc(CCO)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
XDH P47989 1/20 0.36
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
POLB P06746 1/20 0.35
SNCA P37840 2/20 0.35
ERN1 O75460 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
VCAM1 P19320 1/20 0.33

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
SCHEMBL30168068 0.79 XDH (0.35) TSHRXDHALDH5A1ABATSNCA
SCHEMBL17867141 0.75 GPR35 (0.53) TSHRXDHPOLBKDM4EALDH1A1
SCHEMBL28961939 0.75 ERN1 (0.47) TSHRERN1ALDH1A1SMN1; SMN2
Methane SCHEMBL21550186 0.75 TSHR (0.55) TSHRPOLBSNCAKDM4EALDH1A1
SCHEMBL28961928 0.74 TSHR (0.50) TSHRALDH5A1ABATPOLBERN1
SCHEMBL28621032 0.71 ALDH5A1 (0.54) TSHRXDHALDH5A1ABATALDH1A1
SCHEMBL30208604 0.71 ALDH5A1 (0.54) TSHRXDHALDH5A1ABATALDH1A1
SCHEMBL10608137 0.70 TSHR (0.58) TSHRPOLBSNCAKDM4EALDH1A1
SCHEMBL9100377 0.70 CYP1A2 (0.45) XDHALDH5A1ABATERN1
SCHEMBL30208637 0.70 TSHR (0.49) TSHRPOLBSNCAKDM4EALDH1A1

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