SCHEMBL28798451

SCHEMBL28798451

CCC(=O)c1ccc([N+](=O)[O-])c(SCCO)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
MAPT P10636 4/20 0.52
RAB9A P51151 1/20 0.51
CA2 P00918 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
APEX1 P27695 1/20 0.40
TSHR P16473 1/20 0.39
GSTP1 P09211 3/20 0.39
GSTM2 P28161 3/20 0.39
MEN1 O00255 2/20 0.39
CASP6 P55212 1/20 0.39
POLB P06746 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
SCHEMBL8944099 0.77 ALDH1A1 (0.59) ALDH1A1MAPTRAB9ACA2L3MBTL1
SCHEMBL8446872 0.76 ALDH1A1 (0.58) ALDH1A1MAPTRAB9ACA2L3MBTL1
SCHEMBL10888237 0.76 ALDH1A1 (0.58) ALDH1A1MAPTRAB9ACA2L3MBTL1
SCHEMBL12695302 0.75 TSHR (0.68) ALDH1A1MAPTRAB9AL3MBTL1KMT2A
SCHEMBL11705097 0.75 GPR35 (0.51) ALDH1A1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL8444661 0.75 HTT (0.52) ALDH1A1MAPTRAB9ACA2L3MBTL1
SCHEMBL8427051 0.74 CA2 (0.62) ALDH1A1MAPTRAB9ACA2L3MBTL1
SCHEMBL8540296 0.74 CA2 (0.60) ALDH1A1MAPTRAB9ACA2L3MBTL1
SCHEMBL9656947 0.74 ALDH1A1 (0.60) ALDH1A1MAPTCA2KMT2ASMN1; SMN2
SCHEMBL29221076 0.74 ATM (0.51) ALDH1A1MAPTTDP1KMT2ASMN1; SMN2

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-101792525-B Conjugated biological molecules and their preparation POLYTHERICS LTD 2012-06-06 CN disclosed