SCHEMBL10147728

SCHEMBL10147728

C=C(C)O[C@@H]1[C@@H](F)[C@@H](COC(=O)c2ccccc2)O[C@H]1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.37
SLC6A3 Q01959 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HIF1A Q16665 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
NPC1 O15118 2/20 0.35
PTPN1 P18031 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
SCHEMBL6969975 0.86 ALDH1A1 (0.43) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL29490348 0.77 TSHR (0.48) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL337428 0.77 TSHR (0.48) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL18521379 0.77 TSHR (0.48) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL10147727 0.76 CHRNB2 (0.39) ALDH1A1KMT2ATSHRMAPK1LMNA
SCHEMBL25084349 0.76 PTPN1 (0.56) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL13275617 0.76 PTPN1 (0.56) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL20691411 0.76 POLB (0.47) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL18490368 0.76 PTPN1 (0.47) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL10147760 0.76 NPC1 (0.45) ALDH1A1POLBKMT2AMEN1MAPK1

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-8097718-B2 3,5-disubstituted and 3,5,7-trisubstituted-3H-oxazolo and 3H-thiazolo[4,5-d]pyrimidin-2-one compounds and prodrugs thereof ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed