SCHEMBL13617217

SCHEMBL13617217

CCCn1cnc(C=C(CCCCN(Cc2ccccc2)C(=O)OC(C)(C)C)C(=O)OCC)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.39
HDAC3 O15379 3/20 0.39
HDAC2 Q92769 3/20 0.39
NCOR2 Q9Y618 3/20 0.39
CPB2 Q96IY4 4/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR2 P34972 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL13617213 0.75 CPB2 (0.33) CPB2
SCHEMBL3889533 0.74 CPB2 (0.56) HDAC1HDAC3HDAC2NCOR2CPB2
SCHEMBL3845420 0.73 CPB2 (0.46) HDAC1HDAC3HDAC2NCOR2CPB2
SCHEMBL13617413 0.70 HDAC3 (0.53) HDAC1HDAC3HDAC2NCOR2NPC1
SCHEMBL6379732 0.70 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL6378615 0.69 HDAC1 (0.52) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL5122254 0.69 HDAC3 (0.51) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL8525848 0.69 HDAC3 (0.56) HDAC1HDAC3HDAC2NCOR2LMNA
SCHEMBL7202284 0.69 HDAC3 (0.54) HDAC1HDAC3HDAC2NCOR2LMNA
SCHEMBL4137813 0.69 HDAC3 (0.51) HDAC1HDAC3HDAC2NCOR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed