SCHEMBL4597913

SCHEMBL4597913

O=CC(S)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
ALPG P10696 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 1/20 0.33
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 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
SCHEMBL5691193 0.76 CYP2A6 (0.38)
SCHEMBL6740830 0.75 CYP2D6 (0.44) ALDH1A1LMNA
SCHEMBL2553781 0.75 IDO1 (0.41) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL3540663 0.75 IDO1 (0.41) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL8414774 0.73 CYP2D6 (0.42) ALDH1A1LMNA
SCHEMBL3416218 0.71 IDO1 (0.38) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL7916328 0.71 IDO1 (0.38) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL168223 0.71 IDO1 (0.38) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL1712779 0.71 HDAC3 (0.42) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL20550831 0.71 IDO1 (0.38) IDO1TDO2HDAC3HDAC4HDAC1

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-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS Microbia, Inc. (US) 2008-01-16 EP disclosed
WO-2006121861-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-11-16 WO disclosed