SCHEMBL6563541

SCHEMBL6563541

CCOC(=O)CCC(=O)N(Cc1ccccc1)c1cc(C)c(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.34
F2 P00734 3/20 0.34
F10 P00742 3/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKT1 P31749 3/20 0.33
CTSS P25774 3/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
STAT5B P51692 1/20 0.31
TSHR P16473 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL6565483 0.91 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL6561955 0.90 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL6563644 0.86 F2 (0.45) F2F10ITGB3ITGA2BSMN1; SMN2
SCHEMBL6565327 0.86
SCHEMBL6561836 0.83 F2 (0.32) F2F10
SCHEMBL6565347 0.82
SCHEMBL6565418 0.82 MEN1 (0.33) PTGESF2SMN1; SMN2L3MBTL1
SCHEMBL6561854 0.81
SCHEMBL6562040 0.81
SCHEMBL6565218 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed