SCHEMBL7651195

SCHEMBL7651195

CCOC(=O)Cc1c(C(=O)OCC)nc2ccc3c(c2c1-c1ccc2c(c1)OCO2)OCO3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
HSD17B10 Q99714 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 2/20 0.54
SIRT2 Q8IXJ6 4/20 0.48
SIRT1 Q96EB6 3/20 0.48
SIRT3 Q9NTG7 2/20 0.48
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
PRKCI P41743 1/20 0.42
PRKCZ Q05513 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 4/20 0.41

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
SCHEMBL8250528 0.93 KDM4E (0.54) KDM4EHSD17B10SMN1; SMN2TP53SIRT2
SCHEMBL8250523 0.82 HSD17B10 (0.50) KDM4EHSD17B10SMN1; SMN2TP53SIRT2
SCHEMBL7656174 0.78 ALDH1A1 (0.53) KDM4EHSD17B10SMN1; SMN2TP53SIRT2
SCHEMBL7662205 0.77 SIRT2 (0.53) KDM4EHSD17B10SMN1; SMN2TP53SIRT2
SCHEMBL7660819 0.77 KDM4E (0.53) KDM4EHSD17B10SMN1; SMN2TP53SIRT2
SCHEMBL8072656 0.76 KDM4E (0.41) KDM4EHSD17B10SMN1; SMN2TP53SIRT2
SCHEMBL7662862 0.76 ALOX5 (0.40) KDM4EHSD17B10SMN1; SMN2TP53SIRT2
SCHEMBL7655721 0.75 ALOX5 (0.49) KDM4EHSD17B10SMN1; SMN2TP53SIRT2
SCHEMBL7658336 0.74 ALDH1A1 (0.42) KDM4EHSD17B10SMN1; SMN2TP53SIRT2
SCHEMBL2952186 0.71 PRKCI (0.52) KDM4EHSD17B10SMN1; SMN2TP53SIRT2

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
US-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed