SCHEMBL11272047

SCHEMBL11272047

CC(C)OC(=O)C1(Cc2ccc(F)cc2)CO1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDO1 P14902 1/20 0.36
MAOB P27338 3/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
MAOA P21397 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL11295045 0.79 LMNA (0.39) NPSR1MAPTLMNAKMT2AMAOB
SCHEMBL11205079 0.78 NPSR1 (0.41) NPSR1MAPTTSHRGAALMNA
SCHEMBL11138063 0.73 NPSR1 (0.38) NPSR1MAPTGAALMNAKMT2A
SCHEMBL14967385 0.71 TSHR (0.39) TSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL11269019 0.70 ABCB11 (0.48) MAPTTSHRGAALMNAKMT2A
SCHEMBL11272688 0.69 ABCB11 (0.52) MAPTGAALMNAKMT2AMEN1
SCHEMBL10369206 0.68 TSHR (0.68) NPSR1MAPTTSHRGAALMNA
SCHEMBL10062555 0.68 ALDH1A1 (0.47) MAPTTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL11296928 0.68 ABCB11 (0.43) MAPTTSHRGAALMNAKMT2A
SCHEMBL1784913 0.68 TSHR (0.37) NPSR1MAPTTSHRGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4324796-A HYPOGLYCEMIC AGENTS, HYPOKETONEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-04-13 US disclosed