SCHEMBL30008652

SCHEMBL30008652

O=[N+]([O-])c1cc(CO)ccc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.58
CTSL P07711 4/20 0.58
POLB P06746 2/20 0.56
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PDCD1 Q15116 6/20 0.49
CD274 Q9NZQ7 6/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL4126272 1.00 CTSV (0.58) CTSVCTSLPOLBMAPTMEN1
SCHEMBL5642071 0.89 CTSV (0.56) CTSVCTSLPOLBMAPTMEN1
SCHEMBL648410 0.89 CTSV (0.49) CTSVCTSLPOLBMAPTMEN1
SCHEMBL7004094 0.87 MEN1 (0.55) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL10410167 0.86 CTSV (0.59) CTSVCTSLPOLBMAPTMEN1
SCHEMBL10409125 0.86 POLB (0.56) CTSVCTSLPOLBMAPTMEN1
SCHEMBL30008070 0.86 POLB (0.56) CTSVCTSLPOLBMAPTMEN1
SCHEMBL3994909 0.86 POLB (0.56) CTSVCTSLPOLBMAPTMEN1
SCHEMBL27792044 0.86 POLB (0.56) CTSVCTSLPOLBMAPTMEN1
SCHEMBL4644957 0.85 CTSV (0.60) CTSVCTSLPOLBMAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 CN disclosed
CN-117440947-A Lignan derivative, preparation method and application thereof 中国科学院上海药物研究所 2024-01-23 CN disclosed
CN-115215821-A Lignan derivative, preparation method and application thereof 中国科学院上海药物研究所 2022-10-21 CN disclosed