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SCHEMBL5329666

SCHEMBL5329666

CC(COC(=O)CCCc1ccccc1)COC(=O)NC(=N)N(C)C(C(=O)O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ EPHX1 P07099 3/20 0.37
▸ FAAH O00519 4/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL5329662 0.85 EPHX2 (0.41) EPHX2EPHX1FAAHL3MBTL1
SCHEMBL5331768 0.82 ADRB2 (0.44) ADRB2ADRB1ADRB3FAAHCASP1
SCHEMBL5331609 0.77 TSHR (0.43) EPHX2L3MBTL1
SCHEMBL5331061 0.76 TDP1 (0.40) ADRB2ADRB1ADRB3CASP1ALOX5
SCHEMBL5457958 0.76 EPHX2 (0.38) EPHX2ADRB2ADRB1ADRB3EPHX1
SCHEMBL5332969 0.76 L3MBTL1 (0.39) EPHX2EPHX1FAAHL3MBTL1
SCHEMBL5456436 0.74 L3MBTL1 (0.43) EPHX2EPHX1ALOX5L3MBTL1
SCHEMBL5330191 0.73 EPHX2 (0.51) EPHX2EPHX1
SCHEMBL5324750 0.73 TDP1 (0.43) ADRB2ADRB1ADRB3CASP1ALOX5
SCHEMBL5467951 0.72 EPHX2 (0.38) EPHX2EPHX1ALOX5L3MBTL1

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