SCHEMBL10908528

SCHEMBL10908528

CCOC(=O)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
ALDH1A1 P00352 8/20 0.50
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 4/20 0.49
KDM4E B2RXH2 3/20 0.49
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
F2 P00734 1/20 0.46
RCE1 Q9Y256 1/20 0.46
MCL1 Q07820 1/20 0.46
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL6291911 0.80 SIGMAR1 (0.46) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL9834050 0.80 PDGFRB (0.58) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL121810 0.79 MEN1 (0.54) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11697405 0.78 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL126110 0.78 MAPT (0.61) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL14078326 0.78 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3894477 0.77 MAPT (0.57) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16398166 0.77 RAB9A (0.52) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16397904 0.77 NPC1 (0.49) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL7641250 0.77 MAPT (0.56) MAPTALDH1A1MEN1KMT2ATDP1

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
US-4599357-A 1-mercaptoalkanoylindoline-2-carboxylic acids CIBA-GEIGY CORPORATION (US) 1986-07-08 US disclosed