SCHEMBL7956149

SCHEMBL7956149

CCOC(=O)CCCCn1c(C(=O)OCC)cc2c(Cl)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
TNF P01375 1/20 0.47
CTNNB1 P35222 1/20 0.46
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CNR1 P21554 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F10 P00742 1/20 0.43
CNR2 P34972 1/20 0.43
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42

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
SCHEMBL7947029 0.91 FABP4 (0.49) L3MBTL1ALDH1A1KDM4EMAPTMAPK1
SCHEMBL7947022 0.85 F10 (0.55) TNFCTNNB1ALDH1A1KDM4EMAPT
SCHEMBL7954138 0.84 TNF (0.40) L3MBTL1TNFCTNNB1ALDH1A1KDM4E
SCHEMBL7884672 0.84 F10 (0.49) L3MBTL1ALDH1A1KDM4EMAPTMAPK1
SCHEMBL7954481 0.83 TNF (0.43) L3MBTL1TNFALDH1A1KDM4EMAPT
SCHEMBL7955926 0.82 TNF (0.47) L3MBTL1TNFCTNNB1KDM4EMAPT
SCHEMBL8653460 0.81 KDM4E (0.64) TNFCTNNB1KDM4ECNR1CRHBP
SCHEMBL7881467 0.81 KDM4E (0.67) L3MBTL1ALDH1A1KDM4EMAPTMAPK1
SCHEMBL7947037 0.80 PLA2G2A (0.49) L3MBTL1TNFALDH1A1KDM4EMAPT
SCHEMBL27378256 0.80 ALOX5 (0.49) L3MBTL1ALDH1A1KDM4EMAPTMAPK1

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