SCHEMBL8532986

SCHEMBL8532986

CC(=O)c1c(-c2cccc(NC(=N)N)c2)ccc(CCC(=O)O)c1N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.42
PTGER3 P43115 4/20 0.42
PTGER1 P34995 3/20 0.42
PTGER2 P43116 3/20 0.42
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
FFAR1 O14842 4/20 0.39
FFAR4 Q5NUL3 3/20 0.39
ENPP2 Q13822 1/20 0.39
ITGAV P06756 2/20 0.36
MME P08473 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
BTK Q06187 1/20 0.35
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34

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
SCHEMBL8429296 0.87 MAPT (0.36) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8532998 0.85 PTGER4 (0.42) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL8531196 0.78 PTGER4 (0.43) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8432900 0.77 PTGER4 (0.40) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8531192 0.76 PTGER4 (0.48) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8429316 0.76 ITGB3 (0.39) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8428906 0.76 ITGB3 (0.39) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8432805 0.75 ITGB3 (0.37) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8432812 0.75 ITGB3 (0.39) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8698654 0.74 PTGER1 (0.34) PTGER4PTGER3PTGER1PTGER2ITGB3

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
US-5773646-A INTEGRIN INHIBITORS G. D. SEARLE & CO. (US) 1998-06-30 US disclosed