SCHEMBL4556771

SCHEMBL4556771

CC1OC(c2[nH]c(=O)[nH]c(=O)c2F)C(O)C1O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PMP22 Q01453 1/20 0.40
HBB P68871 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
JAK2 O60674 1/20 0.35
THRB P10828 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
SCHEMBL10873403 0.79 UMPS (0.39) TSHRLMNAMAPTPMP22SMN1; SMN2
SCHEMBL7623585 0.69 LMNA (0.32) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631190 0.66 TSHR (0.40) TSHRLMNAMAPTPMP22HBB
SCHEMBL29423327 0.63 UMPS (0.39)
SCHEMBL30751087 0.63 SLC5A2 (0.40)
SCHEMBL29510865 0.63 UMPS (0.39)
SCHEMBL16631575 0.63 TSHR (0.37) TSHRLMNAMAPTPMP22HBB
SCHEMBL16021207 0.61 KDM3B (0.38) TSHRLMNAMAPTPMP22HBB
SCHEMBL31565646 0.61 PYGM (0.41) LMNA
SCHEMBL29286002 0.61 UMPS (0.42) LMNA

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
WO-2009129094-A2 COMPOSITIONS CONTAINING ANTIVIRAL COMPOUNDS AND METHODS OF USING THE SAME MALLINCKRODT INC. (US) 2009-10-22 WO disclosed