SCHEMBL7986549

SCHEMBL7986549

COc1cc(Cc2c(-c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc3)sc3ccccc23)ccc1OCCN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.56
LTA4H P09960 1/20 0.52
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
ITGA4 P13612 1/20 0.47

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
SCHEMBL6597611 0.90 F2 (0.67) F2LTA4HESR1ESR2ITGA4
SCHEMBL7973008 0.86 F2 (0.66) F2LTA4HESR1ESR2
SCHEMBL6172660 0.84 ESR1 (0.66) F2ESR1ESR2
SCHEMBL6596200 0.82 F2 (0.80) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL7982005 0.82 F2 (0.59) F2LTA4HESR1ESR2ITGA4
SCHEMBL6592349 0.81 F2 (0.64) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL7981792 0.81 F2 (0.58) F2LTA4HESR1ESR2ITGA4
SCHEMBL7768104 0.80 F2 (0.68) F2LTA4HESR1ESR2
SCHEMBL7772357 0.80 F2 (0.85) F2ESR1ESR2
SCHEMBL6172878 0.80 ESR1 (0.66) F2LTA4HESR1ESR2ITGA4

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