SCHEMBL8429309

SCHEMBL8429309

CC(=O)c1c(-c2ccc(NC=NN)cc2)ccc(CCC(=O)O)c1N

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.37
FFAR4 Q5NUL3 12/20 0.37
PTGER1 P34995 2/20 0.34
PTGER4 P35408 2/20 0.34
PTGER3 P43115 2/20 0.34
PTGER2 P43116 2/20 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
SCHEMBL8532998 0.88 PTGER4 (0.42) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL8429296 0.81 MAPT (0.36) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL8531196 0.81 PTGER4 (0.43) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL8532986 0.73 PTGER4 (0.42) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL8531716 0.70 PTGER4 (0.40) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL7378811 0.68 PTGER4 (0.48) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL8429187 0.66 ITGB3 (0.37) FFAR1FFAR4
SCHEMBL8428908 0.65 ITGB3 (0.38) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL8432521 0.64 ABCB11 (0.41) PTGER1PTGER4PTGER3PTGER2
SCHEMBL8479912 0.64 PTGER4 (0.70) FFAR1FFAR4PTGER1PTGER4PTGER3

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-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed