SCHEMBL7985988

SCHEMBL7985988

c1ccc2c(Cc3ccc(OCCN4CCCC4)cc3)c(-c3ccc(OCCCc4nnn[nH]4)cc3)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.54
ITGA4 P13612 1/20 0.53
ESR1 P03372 6/20 0.47
ESR2 Q92731 6/20 0.47
LTA4H P09960 3/20 0.44

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
Trifluoroacetic Acid SCHEMBL7983344 0.93 F2 (0.49) F2ITGA4ESR1ESR2
SCHEMBL6596926 0.86 ITGA4 (0.69) F2ITGA4ESR1ESR2LTA4H
SCHEMBL7986642 0.85 F2 (0.61) F2ITGA4ESR1ESR2
SCHEMBL6596335 0.85 ITGA4 (0.68) F2ITGA4ESR1ESR2LTA4H
SCHEMBL7774025 0.84 F2 (0.65) F2ITGA4ESR1ESR2LTA4H
SCHEMBL6604340 0.82 F2 (0.62) F2ITGA4ESR1ESR2LTA4H
SCHEMBL6595837 0.82 F2 (0.76) F2ITGA4ESR1ESR2LTA4H
SCHEMBL6597629 0.82 F2 (0.67) F2ITGA4ESR1ESR2LTA4H
SCHEMBL7982501 0.82 F2 (0.67) F2ITGA4ESR1ESR2LTA4H
Oxalic Acid SCHEMBL7989748 0.82 F2 (0.59) F2ITGA4ESR1ESR2

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-6284756-B1 ANTICOAGULANT ELI LILLY AND COMPANY 2001-09-04 US disclosed