SCHEMBL28548657

SCHEMBL28548657

COC(=O)c1cc(OCCC2COC2)c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
OPRK1 P41145 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
VCAM1 P19320 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
AR P10275 1/20 0.36
PELP1 Q8IZL8 1/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL21156963 0.88 LMNA (0.40) MAPTPOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL28558130 0.83 MAPT (0.41) MAPTHPGDALDH1A1OPRK1NPSR1
SCHEMBL22121279 0.80 PRSS1 (0.44) MAPTPOLBMAPK1VCAM1KDM4E
SCHEMBL3576978 0.79 MAPT (0.46) MAPTPOLBMAPK1ALDH1A1VCAM1
SCHEMBL22313285 0.78 ALDH1A1 (0.56) MAPTALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL30181644 0.78 ALDH1A1 (0.56) MAPTALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL21158078 0.77 LMNA (0.41) MAPTPOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL30803028 0.77 LMNA (0.41) MAPTPOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL1458078 0.76 VCAM1 (0.49) MAPTPOLBMAPK1HPGDALDH1A1
SCHEMBL7567756 0.76 HPGD (0.42) MAPTPOLBMAPK1HPGDALDH1A1

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-110016021-B Immunomodulator 成都先导药物开发股份有限公司 2021-05-07 CN disclosed