SCHEMBL7375668

SCHEMBL7375668

CCOC(=O)CN(C)C(=O)CCCc1ccc(N)c(C(=O)OC(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31

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
SCHEMBL7380726 0.79 RXRA (0.38) GAAKDM4EMAPK1
SCHEMBL7375663 0.75 MEN1 (0.39) MEN1KMT2AGAATDP1KDM4E
SCHEMBL14634358 0.70 CNR1 (0.37) MEN1KMT2AGAAKDM4ECA12
SCHEMBL7380546 0.70 ALOX5 (0.48) MEN1KMT2AGAATDP1KDM4E
SCHEMBL8521943 0.68 CYP1A2 (0.46) MEN1KMT2AKDM4EPOLBMAPK1
SCHEMBL7376182 0.67 RXRA (0.33)
SCHEMBL14634345 0.67 GRM5 (0.47) MEN1KMT2AGAAKDM4ECA12
SCHEMBL7373466 0.66 PDE2A (0.38) GAAALOX5MAPK1
SCHEMBL8492429 0.66 CYP4F2 (0.35) MEN1KMT2AGAAKDM4EALOX5
SCHEMBL4905420 0.66 ALDH1A1 (0.46) MEN1KMT2AKDM4EPOLBMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294549-B1 COMPOUNDS USEFUL FOR INHIBITING RESTENOSIS, ANGIOGENESIS, ATHEROSCLEROSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, INFLAMMATION OR TUMOR GROWTH. MERCK & CO., INC. 2001-09-25 US disclosed
US-5952306-A INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND INHIBITING THE AGGREGATION OF BLOOD PLATELETS; INHIBITING OSTEOCLAST CELLULAR ADHESION TO BONE SURFACES MERCK & CO., INC. (US) 1999-09-14 US disclosed
EP-0880511-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-06-16 EP disclosed
EP-0880511-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-12-02 EP disclosed
WO-1997026250-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-07-24 WO disclosed