SCHEMBL7766997

SCHEMBL7766997

CC1(C)O[C@@H](COc2ccc(-c3ccc(C(=O)O)cc3)cc2)[C@H](COc2ccc(-c3ccc(C(=O)O)cc3)cc2)O1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.51
RARB P10826 5/20 0.50
HSD17B10 Q99714 1/20 0.46
NR1H4 Q96RI1 1/20 0.44
PKM P14618 1/20 0.44
PLA2G4B P0C869 2/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
NR4A2 P43354 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL7767571 1.00 SRD5A2 (0.51) SRD5A2RARBHSD17B10NR1H4PKM
SCHEMBL7766960 0.96 PKM (0.47) SRD5A2RARBHSD17B10PKMPLA2G4B
SCHEMBL7771473 0.93 SRD5A2 (0.48) SRD5A2RARBHSD17B10NR1H4PKM
SCHEMBL7763847 0.89 RXRA (0.47) SRD5A2PKMPLA2G4BMAPK1TP53
SCHEMBL7767116 0.86 MAPT (0.53) NPC1RAB9ASMN1; SMN2
SCHEMBL7771429 0.86 MAPT (0.53) NPC1RAB9ASMN1; SMN2
SCHEMBL11802192 0.83 PKM (0.50) SRD5A2RARBHSD17B10PKMPLA2G4B
SCHEMBL7768494 0.83 RXRA (0.44) PKMPLA2G4BMAPK1TP53TSHR
SCHEMBL7771479 0.81 MAPT (0.57) NPC1POLBRAB9ASMN1; SMN2
SCHEMBL7767015 0.79 ALDH1A1 (0.38) SRD5A2HSD17B10NR1H4PKMPLA2G4B

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