SCHEMBL28294701

SCHEMBL28294701

CCCCCC(C(=O)O)n1c(C(OCC)OCC)cc2cnc(Cl)nc21

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
PTGES O14684 3/20 0.31
PPARG P37231 2/20 0.31
ALOX5 P09917 2/20 0.31
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL28075627 0.74
SCHEMBL18546635 0.72 STK17B (0.31)
SCHEMBL16058177 0.70 PIK3CD (0.34) MAPT
SCHEMBL28227350 0.69
SCHEMBL4201277 0.66 CCR9 (0.36)
SCHEMBL25857099 0.66 HCAR1 (0.31)
SCHEMBL28174161 0.65
SCHEMBL28175196 0.65
SCHEMBL4196176 0.61 ENPP2 (0.39)
SCHEMBL4189802 0.60 SIK1 (0.33)

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-109789143-A Antiproliferative based on pyrimidine G1治疗公司 2019-05-21 CN disclosed