SCHEMBL3659658

SCHEMBL3659658

CCCC(F)OC(=O)N1CCC(c2cc(C(=O)O)cs2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
DAO P14920 1/20 0.35
BRD4 O60885 3/20 0.33
PDE4B Q07343 3/20 0.33
CCR1 P32246 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
MGLL Q99685 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
KDM5C P41229 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
KDM3A Q9Y4C1 1/20 0.32
HPGD P15428 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
SCHEMBL3661604 0.89 ALDH1A1 (0.40) HSD11B1L3MBTL1TSHRBRD4PDE4B
SCHEMBL3720941 0.83 HSD11B1 (0.59) HSD11B1PDE4BALDH1A1
SCHEMBL3719882 0.79 ALDH1A1 (0.42) HSD11B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL3662946 0.76 KDM4E (0.52) MEN1MAPTKMT2ANPSR1KDM4E
SCHEMBL13160414 0.75 GPR119 (0.37) HSD11B1L3MBTL1TSHRDAOBRD4
SCHEMBL4440022 0.73 DPP4 (0.39) L3MBTL1ALDH1A1GAAMGLL
SCHEMBL3657468 0.72 SMN1; SMN2 (0.58) PDE4BMEN1KMT2ANPSR1
SCHEMBL4440020 0.72 SRD5A1 (0.49) ALDH1A1KMT2ALMNA
SCHEMBL4767291 0.70 CTSK (0.38) L3MBTL1ALDH1A1GAA
SCHEMBL3664088 0.70 GAA (0.35) L3MBTL1ALDH1A1GAAKDM4ELMNA

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-2229374-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE AS 11-BETA-HSD1 INHIBITORS THE UNIVERSITY OF EDINBURGH (GB) 2010-09-22 EP disclosed
WO-2009074789-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE AS 11-BETA-HSD1 INHIBITORS THE UNIVERSITY OF EDINBURGH (GB) 2009-06-18 WO disclosed