SCHEMBL7956167

SCHEMBL7956167

CCOCCC(C(=O)O)n1c(C(=O)OCC)cc2c(C)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NOD2 Q9HC29 5/20 0.38
NOD1 Q9Y239 5/20 0.38
TSHR P16473 2/20 0.37
KDM4E B2RXH2 5/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC9A1 P19634 1/20 0.36
ALOX5 P09917 1/20 0.36
ATM Q13315 1/20 0.35

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 0.77 F10 (0.46) F10MEN1KMT2ANOD2NOD1
SCHEMBL7954136 0.75 F10 (0.46) F10MEN1KMT2ANOD2NOD1
SCHEMBL17323120 0.74 F10 (0.57) F10MEN1KMT2ANOD2NOD1
SCHEMBL7956172 0.73 F10 (0.52) F10MEN1KMT2ANOD2NOD1
SCHEMBL7954096 0.73 F10 (0.53) F10MEN1KMT2ANOD2NOD1
SCHEMBL7955701 0.71 F10 (0.57) F10MEN1KMT2ANOD2NOD1
SCHEMBL5622751 0.71 F10 (0.51) F10MEN1KMT2ANOD2NOD1
SCHEMBL7954133 0.70 F10 (0.53) F10MEN1KMT2ANOD2NOD1
SCHEMBL8419074 0.70 NOD2 (0.49) F10MEN1KMT2ANOD2NOD1
SCHEMBL11927322 0.70 NOD2 (0.66) F10MEN1KMT2ANOD2NOD1

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