SCHEMBL6862895

SCHEMBL6862895

CCOC(=O)c1cc2cc3c(cc2nc1O)OCO3

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
HSD17B10 Q99714 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 5/20 0.49
NPC1 O15118 4/20 0.49
RXFP1 Q9HBX9 3/20 0.49
TSHR P16473 3/20 0.49
ALDH1A1 P00352 9/20 0.47
HPGD P15428 7/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
RAB9A P51151 5/20 0.46
KDM4E B2RXH2 5/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL6014247 0.86 LMNA (0.53) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014265 0.80 LMNA (0.47) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014271 0.79 LMNA (0.47) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL24961545 0.78 LMNA (0.56) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL30952911 0.78 LMNA (0.56) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL17384693 0.77 LMNA (0.52) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014300 0.77 LMNA (0.45) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014316 0.77 LMNA (0.45) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL242405 0.77 ALDH1A1 (0.50) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014276 0.77 LMNA (0.44) LMNATDP1HSD17B10SMN1; SMN2MAPT

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
EP-1453812-A2 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2004-09-08 EP disclosed
WO-2003041653-A2 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY (US) 2003-05-22 WO disclosed