SCHEMBL12808331

SCHEMBL12808331

CCOC(=O)C1CNC(=O)c2c(OCc3ccccc3)c(C(=O)O)nn21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
AGTR2 P50052 1/20 0.40
MAPT P10636 1/20 0.38
EGFR P00533 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
ELANE P08246 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL4197780 0.92 AGTR2 (0.40) POLBAGTR2MAPTEGFRL3MBTL1
SCHEMBL4232692 0.85 AGTR2 (0.36) POLBAGTR2MAPTEGFRL3MBTL1
SCHEMBL4196535 0.76 AGTR2 (0.40) POLBAGTR2MAPTEGFRL3MBTL1
SCHEMBL18660067 0.74 USP2 (0.41) MAPTTSHRELANE
SCHEMBL4196402 0.74 ALDH1A1 (0.41) MAPTMEN1KMT2ATSHR
SCHEMBL18632628 0.73 ALOX5 (0.38) MEN1KMT2ATSHR
SCHEMBL4204607 0.72 ACE (0.40) POLBAGTR2EGFRMEN1KMT2A
SCHEMBL4203532 0.71 KDM4E (0.39) POLBEGFR
SCHEMBL4194407 0.71 CYP19A1 (0.39) EGFRL3MBTL1
SCHEMBL4199776 0.71 KDM4E (0.37) POLBL3MBTL1TSHR

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
WO-2011041512-A2 COMPOSITIONS AND METHODS FOR TREATING MLV-INFECTION, AND PREVENTING AND TREATING MLV-INITIATED DISEASES EMORY UNIVERSITY (US) 2011-04-07 WO disclosed