SCHEMBL4199136

SCHEMBL4199136

COc1cc(Br)ccc1OC1CN(C(=O)O)CC1O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 8/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CCR5 P51681 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 2/20 0.36
RECQL P46063 2/20 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
SCHEMBL4229272 0.85 PDE4B (0.48)
SCHEMBL4218352 0.85 PDE4B (0.48)
SCHEMBL4193344 0.82 KDM4E (0.39) ALDH1A1KDM4ELMNATDP1CCR5
SCHEMBL4225725 0.82 KDM4E (0.39) ALDH1A1KDM4ELMNATDP1CCR5
SCHEMBL4855227 0.78 KDM4E (0.45) ALDH1A1KDM4ELMNATDP1CCR5
SCHEMBL14862196 0.77 PDE4B (0.47) ALDH1A1KDM4ELMNATDP1MEN1
SCHEMBL2146128 0.73 GRIN1 (0.41) ALDH1A1LMNATDP1MEN1KMT2A
SCHEMBL4193528 0.72 SLC6A4 (0.44)
SCHEMBL4211817 0.72 SLC6A4 (0.44)
SCHEMBL26907360 0.71 PIK3CD (0.31)

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-2029609-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 WO disclosed