SCHEMBL3661604

SCHEMBL3661604

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.40
BRD4 O60885 4/20 0.38
FDFT1 P37268 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
PDE4B Q07343 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL3659658 0.89 HSD11B1 (0.36) ALDH1A1TSHRGAABRD4NPSR1
SCHEMBL3720941 0.80 HSD11B1 (0.59) ALDH1A1POLBPDE4BTDP1HSD11B1
SCHEMBL3718093 0.80 TP53 (0.51) ALDH1A1TSHRHTTGAAHSD17B10
SCHEMBL3656140 0.76 SMN1; SMN2 (0.53) ALDH1A1TSHRHTTGAABRD4
SCHEMBL3719882 0.76 ALDH1A1 (0.42) ALDH1A1HTTLMNAPOLBTDP1
SCHEMBL3661895 0.73 ALDH1A1 (0.45) ALDH1A1HTTFDFT1POLBMAPT
SCHEMBL13125193 0.72 ALDH1A1 (0.45) ALDH1A1GAAHSD17B10NPSR1KDM4E
SCHEMBL3662438 0.71 PIK3CA (0.41) ALDH1A1HTTBRD4FDFT1KDM4E
SCHEMBL4440022 0.71 DPP4 (0.39) ALDH1A1HTTGAAPOLBSMN1; SMN2
SCHEMBL4767291 0.68 CTSK (0.38) ALDH1A1HTTGAAPOLBSMN1; SMN2

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