SCHEMBL5332969

SCHEMBL5332969

CCCC(OC(=O)CCc1ccccc1)OC(=O)NC(=N)N(C)C(C(=O)O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
FAAH O00519 3/20 0.36
FKBP1A P62942 2/20 0.34
EPHX2 P34913 3/20 0.34
ALDH1A1 P00352 2/20 0.33
EPHX1 P07099 1/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
PRSS1 P07477 1/20 0.33
CYP2C19 P33261 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
REN P00797 1/20 0.33
ABCB1 P08183 2/20 0.33
RECQL P46063 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL5330165 0.84 FOLH1 (0.39) FAAHPRSS1
SCHEMBL5332965 0.83 GPR88 (0.39) L3MBTL1
SCHEMBL5324777 0.83 FOLH1 (0.36) FAAHPRSS1
SCHEMBL5329662 0.82 EPHX2 (0.41) L3MBTL1FAAHEPHX2EPHX1
SCHEMBL5331609 0.78 TSHR (0.43) L3MBTL1EPHX2
SCHEMBL5329666 0.76 EPHX2 (0.40) L3MBTL1FAAHEPHX2EPHX1
SCHEMBL5332601 0.76 FAAH (0.37) FAAHPRSS1
SCHEMBL5324822 0.72 L3MBTL1 (0.41) L3MBTL1EPHX2ALDH1A1RECQLSIGMAR1
SCHEMBL5458039 0.71 L3MBTL1 (0.44) L3MBTL1ALDH1A1CYP2C19RECQLSIGMAR1
SCHEMBL5455660 0.71 L3MBTL1 (0.39) L3MBTL1EPHX2ALDH1A1EPHX1RECQL

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