SCHEMBL8889529

SCHEMBL8889529

CC(CC(=O)O)c1ccc2ncc(-c3cccc(F)c3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.48
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.44
TBXA2R P21731 1/20 0.44
PTGDR Q13258 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
GRIN2B Q13224 3/20 0.42
CTSA P10619 2/20 0.42
MAP4K4 O95819 1/20 0.42
CSNK1G2 P78368 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42
TNIK Q9UKE5 1/20 0.41
MET P08581 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
MMP1 P03956 1/20 0.40

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
SCHEMBL8890269 0.91 FFAR1 (0.48) FFAR1PDGFRBPDGFRAPTGDR2TBXA2R
SCHEMBL8501209 0.85 AKR1C3 (0.60) PDGFRBPDGFRAAKR1C3AKR1C2MAP4K4
SCHEMBL8889522 0.77 PDGFRB (0.47) FFAR1PDGFRBPDGFRAAKR1C3AKR1C2
Hydrochloric Acid SCHEMBL8888127 0.77 CTSA (0.46) FFAR1PDGFRBPDGFRAEGLN1GRIN2B
SCHEMBL987115 0.76 FFAR1 (0.49) FFAR1
SCHEMBL22303914 0.76 FFAR1 (0.49) FFAR1
SCHEMBL12883017 0.76 FFAR1 (0.49) FFAR1
SCHEMBL8499693 0.75 PDGFRB (0.52) PDGFRBPDGFRAEGLN1GRIN2BMAP4K4
SCHEMBL8501202 0.75 FFAR1 (0.51) FFAR1PDGFRBPDGFRAPTGDR2EGLN1
SCHEMBL8887119 0.75 PDGFRB (0.47) PDGFRBPDGFRAGRIN2BMAP4K4CSNK1G2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US claimed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed