SCHEMBL7768494

SCHEMBL7768494

CC1(C)O[C@@H]([C@H]2OC(C)(C)O[C@@H]2COc2ccc(CCc3ccc(C(=O)O)cc3)cc2)[C@H](COc2ccc(CCc3ccc(C(=O)O)cc3)cc2)O1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.44
RXRB P28702 5/20 0.44
NR4A2 P43354 4/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40
PLA2G4B P0C869 1/20 0.40
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7763847 0.94 RXRA (0.47) RXRARXRBNR4A2POLBNPC1
SCHEMBL7771473 0.90 SRD5A2 (0.48) RXRARXRBALDH1A1PLA2G4BPKM
SCHEMBL7771500 0.88 MAPT (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL7766960 0.87 PKM (0.47) RXRARXRBNR4A2POLBNPC1
SCHEMBL7767571 0.83 SRD5A2 (0.51) RXRARXRBNR4A2POLBNPC1
SCHEMBL7766997 0.83 SRD5A2 (0.51) RXRARXRBNR4A2POLBNPC1
SCHEMBL7769004 0.82 KDM4E (0.48) ALDH1A1HPGD
SCHEMBL7767015 0.81 ALDH1A1 (0.38) RXRARXRBNR4A2POLBNPC1
SCHEMBL7763850 0.81 MAPT (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL11802192 0.78 PKM (0.50) RXRARXRBNR4A2POLBNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741128-B1 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls HOFFMANN LA ROCHE (CH) 2001-06-20 EP disclosed
EP-0741128-A2 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1996-11-06 EP disclosed