SCHEMBL5044971

SCHEMBL5044971

COc1cccc(F)c1C(OC)C(=O)NCc1ccc(C(=N)N)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.46
F10 P00742 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
F2 P00734 8/20 0.44
PRSS1 P07477 1/20 0.44
F7 P08709 1/20 0.44
CARM1 Q86X55 3/20 0.44
PRMT6 Q96LA8 3/20 0.44
MASP2 O00187 1/20 0.44
PKM P14618 1/20 0.43
KLK1 P06870 1/20 0.43
KLK5 Q9Y337 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PROC P04070 1/20 0.41
TMPRSS6 Q8IU80 2/20 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
SCHEMBL5044974 1.00 ST14 (0.46) ST14F10HDAC1HDAC6F2
Hydrochloric Acid SCHEMBL5047660 0.99 CARM1 (0.46) ST14F10HDAC1HDAC6F2
Hydrochloric Acid SCHEMBL5047665 0.99 CARM1 (0.46) ST14F10HDAC1HDAC6F2
SCHEMBL6448878 0.92 ST14 (0.50) ST14F10F2PRSS1MASP2
SCHEMBL6448875 0.92 ST14 (0.50) ST14F10F2PRSS1MASP2
Hydrochloric Acid SCHEMBL5040805 0.91 ST14 (0.49) ST14F10F2PRSS1MASP2
Hydrochloric Acid SCHEMBL5040801 0.91 ST14 (0.49) ST14F10F2PRSS1MASP2
SCHEMBL5047696 0.90 ST14 (0.43) ST14F10F2PRSS1F7
SCHEMBL5041269 0.90 F10 (0.44) ST14F10F2PRSS1F7
Hydrochloric Acid SCHEMBL5045151 0.89 ST14 (0.42) ST14F10F2PRSS1F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO disclosed