SCHEMBL8544460

SCHEMBL8544460

O=C(CCl)C1CC2CCC1C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
HSD11B1 P28845 1/20 0.44
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
EPHX2 P34913 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7816335 0.79 POLB (0.53) POLBHSD11B1HPGDL3MBTL1EPHX2
SCHEMBL3759447 0.78 POLB (0.55) POLBHSD11B1HPGDL3MBTL1EPHX2
SCHEMBL3759450 0.78 POLB (0.55) POLBHSD11B1HPGDL3MBTL1EPHX2
SCHEMBL17237808 0.77 TSHR (0.37) POLBALDH1A1
SCHEMBL17237810 0.77 TSHR (0.37) POLBALDH1A1
SCHEMBL32688847 0.76 POLB (0.55) POLBHSD11B1HPGDL3MBTL1EPHX2
SCHEMBL21896029 0.76 POLB (0.50) POLBHSD11B1HPGDL3MBTL1EPHX2
SCHEMBL32689185 0.76 POLB (0.55) POLBHSD11B1HPGDL3MBTL1EPHX2
SCHEMBL11601506 0.76 NPC1 (0.50) POLBHSD11B1HPGDL3MBTL1NPC1
SCHEMBL21896031 0.75 POLB (0.57) POLBHSD11B1HPGDL3MBTL1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed