SCHEMBL5331598

SCHEMBL5331598

CCCCC(C(=O)O)N(C)C(=N)NC(=O)OC(C)OC(=O)C(CC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
GPR88 Q9GZN0 3/20 0.38
CTSK P43235 5/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
FOLH1 Q04609 1/20 0.36
MME P08473 1/20 0.35
KLK7 P49862 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM4A O75164 1/20 0.34

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
SCHEMBL5331039 0.87 CHRM1 (0.39) POLBCTSKMEN1LMNAKMT2A
SCHEMBL5331601 0.80 FAAH (0.39) CTSKLMNAFOLH1
SCHEMBL5330077 0.76 FOLH1 (0.40) CTSKFOLH1KLK7
SCHEMBL5324767 0.74 GPR88 (0.34) GPR88CTSKKLK7
SCHEMBL5324549 0.73 CHRNB2 (0.32) CTSKFOLH1
SCHEMBL5329546 0.73 PTGS1 (0.37) LMNAKMT2AKLK7
SCHEMBL5330532 0.73 SMN1; SMN2 (0.41) LMNA
SCHEMBL5324554 0.70 FOLH1 (0.30) FOLH1
SCHEMBL5331040 0.69 HPGD (0.40) LMNA
SCHEMBL5332598 0.68 KLK7 (0.35) MEN1LMNAKMT2AKLK7

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