SCHEMBL8544609

SCHEMBL8544609

CCOC(=O)c1c(C2CC2)nc(CC)n1Cc1c2ccocc-2c(C(=O)OC)c1-c1ccccc1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE7A Q13946 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL9664770 0.92 PPARG (0.33) HSD17B10PDE4BPDE7A
SCHEMBL9429570 0.85 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL9429517 0.84 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL8549059 0.82 ALDH1A1 (0.38) TSHRALDH1A1HSD17B10LMNAMAPT
SCHEMBL8545688 0.82 ALDH1A1 (0.38) TSHRALDH1A1HSD17B10LMNAMAPT
SCHEMBL8545039 0.81 ALDH1A1 (0.37) TSHRALDH1A1HSD17B10LMNAMAPT
SCHEMBL9429620 0.81 AGTR2 (0.35) TSHRALDH1A1
SCHEMBL8548391 0.79 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL8547600 0.78 ALDH1A1 (0.36) TSHRALDH1A1POLB
SCHEMBL8544767 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514198-B1 1H-Imidazol-1-yl-methyl benzofuran derivatives with the imidazolyl moiety being substituted by a cycloalkyl group GLAXO GROUP LTD (GB) 1998-08-05 EP disclosed
US-5498722-A HYPOTENSIVES GLAXO GROUP (GB) 1996-03-12 US disclosed
US-5332831-A Angiotensin antagonist GLAXO GROUP LIMITED (GB) 1994-07-26 US disclosed
WO-1992020674-A1 1H-IMIDAZOL-1-YL-METHYL BENZOFURAN DERIVATIVES, WITH THE IMIDAZOLYL MOIETY BEING SUBSTITUTED BY A CYCLOALKYL GROUP GLAXO GROUP LIMITED (GB) 1992-11-26 WO disclosed