SCHEMBL7987752

SCHEMBL7987752

O[C@@H]([C@H](O)[C@@H](COCc1ccc(Br)cc1)OCc1ccccc1)[C@@H](COCc1ccc(Br)cc1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
HTT P42858 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TACR1 P25103 2/20 0.40
SLC1A1 P43005 1/20 0.38
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38

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
SCHEMBL5742123 0.91 CA1 (0.56) CA1CA2CA7CA9HTT
SCHEMBL7989918 0.88 CA1 (0.50) CA1CA2CA7CA9HTT
SCHEMBL7988903 0.86 CA1 (0.49) CA1CA2CA7CA9HTT
SCHEMBL7986919 0.86 CA1 (0.49) CA1CA2CA7CA9HTT
SCHEMBL7976558 0.85 CA1 (0.47) CA1CA2CA7CA9HTT
SCHEMBL7504436 0.85 SMN1; SMN2 (0.48) CA1CA2CA7CA9HTT
SCHEMBL7987465 0.85 CA1 (0.47) CA1CA2CA7CA9HTT
SCHEMBL7510633 0.85 CA1 (0.47) CA1CA2CA7CA9HTT
SCHEMBL7989889 0.85 CA1 (0.47) CA1CA2CA7CA9HTT
SCHEMBL7988927 0.85 CA1 (0.47) CA1CA2CA7CA9HTT

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-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed