SCHEMBL7947022

SCHEMBL7947022

CCOC(=O)CCCn1c(C(=O)OCC)cc2c(C)cccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.55
▸ TNF P01375 2/20 0.52
▸ CTNNB1 P35222 1/20 0.51
▸ KDM4E B2RXH2 5/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TSHR P16473 4/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NOD2 Q9HC29 1/20 0.45
▸ NOD1 Q9Y239 1/20 0.45
▸ CNR1 P21554 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43

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
SCHEMBL7961092 0.91 F10 (0.55) F10CTNNB1KDM4ECRHBPCRHR2
SCHEMBL7955701 0.85 F10 (0.57) F10KDM4ECRHBPCRHR2SMN1; SMN2
SCHEMBL7956149 0.85 L3MBTL1 (0.47) F10TNFCTNNB1KDM4ECRHBP
SCHEMBL7954133 0.84 F10 (0.53) F10KDM4ECRHBPCRHR2SMN1; SMN2
SCHEMBL7957934 0.83 F10 (0.53) F10KDM4ECRHBPCRHR2SMN1; SMN2
SCHEMBL27354976 0.82 TNF (0.51) F10TNFCTNNB1KDM4ETSHR
SCHEMBL8653460 0.82 KDM4E (0.64) F10TNFCTNNB1KDM4ECRHBP
SCHEMBL7954096 0.79 F10 (0.53) F10KDM4ECRHBPCRHR2SMN1; SMN2
SCHEMBL5623862 0.78 F10 (0.57) F10KDM4ECRHBPCRHR2SMN1; SMN2
SCHEMBL15622413 0.78 KDM4E (0.68) F10KDM4ECRHBPCRHR2SMN1; SMN2

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
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