SCHEMBL7766960

SCHEMBL7766960

CC1(C)O[C@@H](COc2ccc(C(=O)O)cc2)[C@H](COc2ccc(C(=O)O)cc2)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
PLA2G4B P0C869 3/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
NR4A2 P43354 2/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
SRD5A2 P31213 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 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
SCHEMBL7766997 0.96 SRD5A2 (0.51) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL7767571 0.96 SRD5A2 (0.51) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL7763847 0.93 RXRA (0.47) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL7771473 0.89 SRD5A2 (0.48) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL11802192 0.87 PKM (0.50) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL7768494 0.87 RXRA (0.44) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL7771479 0.85 MAPT (0.57) POLBNPC1RAB9ASMN1; SMN2CA1
SCHEMBL7767015 0.83 ALDH1A1 (0.38) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL7767116 0.81 MAPT (0.53) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL7771429 0.81 MAPT (0.53) NPC1RAB9ASMN1; SMN2CA1CA2

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 3 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
US-5830920-A PREVENTION GROWTH OF SMOOTH MUSCLE CELLS HOFFMANN-LA ROCHE INC. (US) 1998-11-03 US 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