SCHEMBL7989817

SCHEMBL7989817

O=C(O)c1ccc(COC[C@@H](OCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccc(C(=O)O)cc2)OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
CA1 P00915 3/20 0.48
ALDH1A1 P00352 1/20 0.47
SRD5A2 P31213 2/20 0.46
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
RXRA P19793 4/20 0.43
RXRB P28702 3/20 0.43
RXRG P48443 2/20 0.43
HPGD P15428 1/20 0.43
PLA2G4B P0C869 1/20 0.43
SLC1A1 P43005 1/20 0.43
TBXAS1 P24557 1/20 0.42
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42

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
SCHEMBL7502596 1.00 NR4A1 (0.49) NR4A1NR4A2NR4A3CA1ALDH1A1
SCHEMBL7507247 0.91 CA1 (0.44) NR4A1NR4A2NR4A3CA1CA2
SCHEMBL5742123 0.88 CA1 (0.56) CA1CA2CA7CA9SLC1A1
SCHEMBL7990473 0.87 CA1 (0.47) CA1CA2HPGDTBXAS1TSHR
SCHEMBL7516982 0.87 CA1 (0.47) CA1CA2HPGDTBXAS1TSHR
SCHEMBL7989918 0.85 CA1 (0.50) CA1CA2CA7CA9SLC1A1
SCHEMBL7988903 0.84 CA1 (0.49) CA1CA2CA7CA9SLC1A1
SCHEMBL7986919 0.84 CA1 (0.49) CA1CA2CA7CA9SLC1A1
SCHEMBL7510633 0.82 CA1 (0.47) CA1CA2CA7CA9SLC1A1
SCHEMBL7987465 0.82 CA1 (0.47) CA1CA2CA7CA9TSHR

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