SCHEMBL28093039

SCHEMBL28093039

CC(C)(C)c1c(O)ccc(CCC(=O)O)c1CN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
NR1H4 Q96RI1 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CHEK1 O14757 1/20 0.38
FYN P06241 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
GRK5 P34947 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAPK8 P45983 1/20 0.38
CDK8 P49336 1/20 0.38
RPS6KA3 P51812 1/20 0.38
PRKX P51817 1/20 0.38
JAK3 P52333 1/20 0.38
LIMK1 P53667 1/20 0.38
BTK Q06187 1/20 0.38
TYRO3 Q06418 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL55627 0.83 POLB (0.47) POLBNR1H4NPSR1CHEK1FYN
SCHEMBL30337061 0.83 POLB (0.47) POLBNR1H4NPSR1CHEK1FYN
Methane SCHEMBL9285119 0.81 POLB (0.46) POLBNR1H4NPSR1CHEK1FYN
SCHEMBL7693390 0.80 NR1H4 (0.48) POLBNR1H4NPSR1CHEK1FYN
SCHEMBL28591591 0.77 POLB (0.45) POLBNR1H4NPSR1CHEK1FYN
SCHEMBL28165700 0.77 RXRA (0.38) POLBNR1H4CHEK1FYNPDGFRB
SCHEMBL5502695 0.76 POLB (0.44) POLBNR1H4NPSR1CHEK1FYN
SCHEMBL8787450 0.73 CYSLTR2 (0.39)
SCHEMBL7754793 0.72 TP53 (0.42) POLBALDH1A1
SCHEMBL27515343 0.71 BACE1 (0.39) ALDH1A1ESR1ESR2

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-103724986-B Polyamide molding materials and the mould being produced from EMS专利股份公司 2016-08-31 CN disclosed