SCHEMBL8928654

SCHEMBL8928654

COc1cc(OC(C)=O)c(OC)cc1OC(C)=O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 1/20 0.83
TSHR P16473 3/20 0.60
NR3C1 P04150 1/20 0.55
CYP3A4 P08684 3/20 0.54
JUN P05412 1/20 0.53
NFKB1 P19838 1/20 0.53
PTGS1 P23219 1/20 0.51
RAB9A P51151 2/20 0.50
BACE1 P56817 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.48
VCP P55072 1/20 0.47
PKM P14618 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NFE2L2 Q16236 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL27602532 1.00 TNFSF11 (0.83) TNFSF11TSHRNR3C1CYP3A4JUN
SCHEMBL21723164 1.00 TNFSF11 (0.83) TNFSF11TSHRNR3C1CYP3A4JUN
SCHEMBL15787182 0.91 TNFSF11 (1.00) TNFSF11TSHRNR3C1CYP3A4JUN
SCHEMBL6275593 0.89 TNFSF11 (0.67) TNFSF11TSHRPTGS1RAB9ABACE1
SCHEMBL2729406 0.88 TNFSF11 (0.67) TNFSF11TSHRNR3C1CYP3A4JUN
SCHEMBL28975019 0.87 TNFSF11 (0.66) TNFSF11TSHRNR3C1CYP3A4JUN
SCHEMBL3326702 0.85 TNFSF11 (0.63) TNFSF11TSHRNR3C1CYP3A4JUN
SCHEMBL26009127 0.84 TNFSF11 (0.62) TNFSF11TSHRNR3C1CYP3A4JUN
SCHEMBL15680262 0.83 LCK (0.61) TNFSF11TSHRNR3C1CYP3A4PTGS1
SCHEMBL7995114 0.83 TNFSF11 (0.61) TNFSF11TSHRNR3C1JUNNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225347-B2 POLYESTER YARN AND METHOD FOR PREPARING IT SCHWEIZERISCHE VISCOSE (CH) 1997-08-13 EP disclosed
EP-0225347-B1 POLYESTER YARN AND METHOD FOR PREPARING IT RHONE-POULENC VISCOSUISSE SA (CH) 1992-08-26 EP disclosed
EP-0225347-A1 POLYESTER YARN AND METHOD FOR PREPARING IT. SCHWEIZERISCHE VISCOSE (CH) 1987-06-16 EP disclosed
WO-1986007616-A1 METHOD FOR PREPARING MODIFIED POLYESTER YARNS AND POLYESTER YARN OBTAINED THEREBY VISCOSUISSE SA (CH) 1986-12-31 WO disclosed