SCHEMBL28969702

SCHEMBL28969702

O=C(ON1C(=O)CCC1=O)c1ccc(CO)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
THRB P10828 5/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
VCAM1 P19320 1/20 0.37

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
SCHEMBL7799900 0.89 PDK1 (0.40) PDK1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL10976812 0.85 CASP6 (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL28542182 0.82 MAOB (0.44) SMN1; SMN2MEN1KMT2A
SCHEMBL20596664 0.82 PARP1 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL28530183 0.82 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HPGDLMNAPOLB
SCHEMBL28542167 0.82 AKR1C4 (0.37) ALDH1A1TDP1MEN1KMT2A
SCHEMBL28719697 0.80 SMN1; SMN2 (0.45) PDK1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL28541572 0.79 ALDH1A1 (0.41) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL1231155 0.78 ALDH1A1 (0.46) SMN1; SMN2RAB9AALDH1A1HPGDLMNA
SCHEMBL3085325 0.77 VCAM1 (0.59) PDK1RAB9AALDH1A1HPGDLMNA

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-115819693-A UV light response type amphiphilic block copolymer and preparation and application thereof 青岛科技大学 2023-03-21 CN claimed
CN-115819693-A UV light response type amphiphilic block copolymer and preparation and application thereof 青岛科技大学 2023-03-21 CN disclosed