SCHEMBL4758367

SCHEMBL4758367

CC(C)C(OC([NH])=O)OC(=O)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.43
KEAP1 Q14145 1/20 0.43
MEN1 O00255 1/20 0.42
FFAR1 O14842 1/20 0.41

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
SCHEMBL3183513 0.79 TSHR (0.68) FAAHTDP1ALDH1A1TSHRKMT2A
SCHEMBL27540219 0.78 TSHR (0.66) FAAHTDP1ALDH1A1TSHRKMT2A
SCHEMBL3099269 0.77 FAAH (0.43) FAAHTDP1ALDH1A1KMT2AMEN1
SCHEMBL22474206 0.76 TDP1 (0.58) FAAHTDP1ALDH1A1TSHRKMT2A
SCHEMBL27579434 0.76 TDP1 (0.58) FAAHTDP1ALDH1A1TSHRKMT2A
SCHEMBL5324746 0.75 FAAH (0.40) FAAHTDP1KMT2AKEAP1MEN1
SCHEMBL24437485 0.75 TDP1 (0.51) FAAHTDP1ALDH1A1TSHRKMT2A
SCHEMBL9136464 0.75 TDP1 (0.51) FAAHTDP1ALDH1A1TSHRKMT2A
SCHEMBL13335586 0.74 TDP1 (0.54) FAAHTDP1ALDH1A1TSHRKMT2A
SCHEMBL29699649 0.73 TDP1 (0.58) FAAHTDP1ALDH1A1TSHRKMT2A

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
WO-2008013860-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF ALPHA-AMINO ACIDS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-01-31 WO claimed
WO-2008013860-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF ALPHA-AMINO ACIDS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-01-31 WO disclosed