SCHEMBL5324746

SCHEMBL5324746

CC(C)C(OC(=O)CCc1ccccc1)OC(=O)NC(=N)N(C)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.40
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 2/20 0.37
CASP1 P29466 2/20 0.37
MEN1 O00255 1/20 0.35
KEAP1 Q14145 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
SCHEMBL5324604 0.89 TSHR (0.46) FAAHCASP1
SCHEMBL5331057 0.82 FAAH (0.38) FAAHTDP1KMT2ACASP1MEN1
SCHEMBL5324750 0.81 TDP1 (0.43) TDP1KMT2ACASP1
SCHEMBL5331767 0.77 FAAH (0.40) FAAH
SCHEMBL4758367 0.75 FAAH (0.50) FAAHTDP1KMT2AMEN1KEAP1
SCHEMBL5329549 0.74 TDP1 (0.39) FAAHTDP1KMT2AMEN1
SCHEMBL5331537 0.74 TSHR (0.46) FAAHCASP1
SCHEMBL5329662 0.73 EPHX2 (0.41) FAAH
SCHEMBL25298888 0.73 NPC1 (0.46) KMT2AMEN1
SCHEMBL3099269 0.72 FAAH (0.43) FAAHTDP1KMT2ACASP1MEN1

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-2007146086-A1 CREATINE PRODRUGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2007-12-21 WO disclosed