SCHEMBL8080069

SCHEMBL8080069

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)CCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.51
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP12 P39900 2/20 0.44
PDE4B Q07343 1/20 0.43
KEAP1 Q14145 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3399635 0.86 CPA3 (0.49) KIF11KEAP1
SCHEMBL8403280 0.84 KIF11 (0.48) KIF11HTTMEN1KMT2AKCNH2
SCHEMBL10586379 0.82 KIF11 (0.54) KIF11KCNH2
SCHEMBL3496480 0.80 KIF11 (0.54) KIF11HTTKMT2AKCNH2
SCHEMBL5065127 0.80 KIF11 (0.45) KIF11HTTMEN1KMT2AKCNH2
SCHEMBL14937220 0.79 KIF11 (0.46) KIF11HTTKMT2AKCNH2
SCHEMBL8734433 0.79 KIF11 (0.44) KIF11HTTMEN1KMT2AKCNH2
SCHEMBL7747362 0.79 KIF11 (0.44) KIF11HTTMEN1KMT2AKCNH2
SCHEMBL4579061 0.79 KIF11 (0.44) KIF11HTTMEN1KMT2AKCNH2
SCHEMBL5023008 0.78 KIF11 (0.56) KIF11KCNH2

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
US-6140493-A BIFUNCTIONAL SOLID SUPPORT HAVING A PLURALITY OF AMINE ACTIVE SITES AND A PLURALITY OF HYDROXYL ACTIVE SITES; FOR SOLID PHASE SYNTHESIS AFFYMAX TECHNOLOGIES N.V. (GB) 2000-10-31 US claimed