SCHEMBL6690906

SCHEMBL6690906

CC(=O)OC[C@H]1OC(Oc2c(O)ccc3ccccc23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.53
PDIA4 P13667 1/20 0.53
PDIA3 P30101 1/20 0.53
TSHR P16473 1/20 0.53
PRKCA P17252 1/20 0.52
AKT1 P31749 1/20 0.52
PTK2 Q05397 1/20 0.52
LMNA P02545 2/20 0.49
CYP2D6 P10635 1/20 0.48
THRB P10828 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL7078462 0.82 LMNA (0.51) TSHRPRKCAAKT1PTK2LMNA
SCHEMBL5199522 0.82 LMNA (0.51) TSHRPRKCAAKT1PTK2LMNA
SCHEMBL16710218 0.81 TSHR (0.55) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL20633948 0.81 TSHR (0.55) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL3957917 0.81 P4HB (0.62) P4HBPDIA4PDIA3TSHRPRKCA
SCHEMBL3961735 0.81 P4HB (0.62) P4HBPDIA4PDIA3TSHRPRKCA
SCHEMBL20633976 0.80 P4HB (0.61) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL20035071 0.80 P4HB (0.53) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL18136409 0.80 P4HB (0.53) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL16710235 0.80 P4HB (0.53) P4HBPDIA4PDIA3TSHRLMNA

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
JP-2004224763-A METHOD FOR SYNTHESIS OF NAPHTHOL GLYCOSIDE AND ITS INTERMEDIATE OGAWA & CO LTD 2004-08-12 JP disclosed