SCHEMBL7954481

SCHEMBL7954481

CCOC(=O)CCCCn1c(C(=O)OCC)cc2c(Cl)cc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 8/20 0.43
DYRK1A Q13627 5/20 0.42
PLA2G2A P14555 2/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL7955768 0.92 DYRK1A (0.42) DYRK1APLA2G2AKDM4EMAPTMAPK1
SCHEMBL7954138 0.87 TNF (0.40) TNFPLA2G2AKDM4EMAPTMAPK1
SCHEMBL7947037 0.85 PLA2G2A (0.49) TNFPLA2G2APSEN1PSEN2APH1B
SCHEMBL7956149 0.83 L3MBTL1 (0.47) TNFPSEN1PSEN2APH1BNCSTN
SCHEMBL7955926 0.80 TNF (0.47) TNFKDM4EMAPTMAPK1TDP1
SCHEMBL7954482 0.76 CNR1 (0.46) TNF
SCHEMBL7947029 0.74 FABP4 (0.49) KDM4EMAPTMAPK1TDP1ALDH1A1
SCHEMBL26912138 0.73 TNF (0.44) TNFKDM4EMAPTMAPK1TDP1
SCHEMBL8653460 0.73 KDM4E (0.64) TNFKDM4EMTNR1AMTNR1B
SCHEMBL7947022 0.72 F10 (0.55) TNFKDM4EMAPTTDP1ALDH1A1

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