SCHEMBL7954136

SCHEMBL7954136

CCOC(=O)COC(C)n1c(C(=O)OCC)cc2c(C)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.46
TSHR P16473 3/20 0.40
NLRP3 Q96P20 3/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
NOD2 Q9HC29 3/20 0.38
NOD1 Q9Y239 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL7954098 0.91 F10 (0.46) F10TSHRHSD17B10NOD2NOD1
SCHEMBL7954133 0.75 F10 (0.53) F10TSHRNLRP3HSD17B10NOD2
SCHEMBL7956167 0.75 F10 (0.46) F10TSHRHSD17B10NOD2NOD1
SCHEMBL17323120 0.74 F10 (0.57) F10TSHRHSD17B10NOD2NOD1
SCHEMBL7947022 0.72 F10 (0.55) F10TSHRHSD17B10NOD2NOD1
SCHEMBL2010893 0.71 KDM4E (0.53) F10TSHRHSD17B10GLAMEN1
SCHEMBL5622751 0.71 F10 (0.51) F10TSHRHSD17B10NOD2NOD1
SCHEMBL8419074 0.70 NOD2 (0.49) F10TSHRNOD2NOD1MEN1
SCHEMBL7955701 0.69 F10 (0.57) F10TSHRHSD17B10GLANOD2
SCHEMBL5623862 0.69 F10 (0.57) F10TSHRHSD17B10NOD2NOD1

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
US-6271251-B1 CARDIOVASCULAR DISORDERS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2001-08-07 US disclosed
US-5977100-A Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5834454-A TREATMENT OF ANGINA, ISCHEMIA, ARRHYTHMIA SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-11-10 US disclosed
EP-0787728-A1 Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-08-06 EP disclosed