SCHEMBL11889

SCHEMBL11889

CCC(CC(C)(C(=O)O)S(C)(=O)=O)c1ccc(-n2cccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GCGR P47871 2/20 0.38
TP53 P04637 2/20 0.38
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
BRS3 P32247 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
PDE2A O00408 1/20 0.36

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
SCHEMBL5698 0.77 SLC6A2 (0.46) BRS3
SCHEMBL16136707 0.77 FPR2 (0.39) PKM
SCHEMBL10097 0.74 ESR1 (0.41) MAPT
SCHEMBL11890 0.74 GCGR (0.41) POLBGCGRTP53CCNE1CDK2
SCHEMBL5807 0.69 F2 (0.40)
SCHEMBL5763 0.69 CA12 (0.42) BRS3
SCHEMBL5730 0.68 SLC6A2 (0.61)
SCHEMBL11488797 0.68 JAK2 (0.46) POLBGCGRTP53MAPTMEN1
SCHEMBL11488794 0.68 JAK2 (0.46) POLBGCGRTP53MAPTMEN1
SCHEMBL11495989 0.68 POLB (0.50) POLBGCGRTP53MEN1PKM

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-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 WO disclosed