SCHEMBL5330077

SCHEMBL5330077

CCCCC(C(=O)O)N(C)C(=N)NC(=O)OC(CC)OC(=O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.40
CNR2 P34972 2/20 0.39
TSHR P16473 1/20 0.38
CTSK P43235 11/20 0.37
CTSL P07711 3/20 0.37
CTSB P07858 3/20 0.37
CTSH P09668 2/20 0.36
KLK7 P49862 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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 0.79 FOLH1 (0.39) FOLH1
SCHEMBL5331601 0.79 FAAH (0.39) FOLH1CTSKCTSLCTSBCTSH
SCHEMBL5331113 0.79 TSHR (0.43) FOLH1CNR2TSHRCTSKCTSL
SCHEMBL5324777 0.78 FOLH1 (0.36) FOLH1CTSKCTSLCTSB
SCHEMBL5331598 0.76 POLB (0.38) FOLH1CTSKKLK7
SCHEMBL5332601 0.75 FAAH (0.37) CTSKCTSLCTSB
SCHEMBL5331118 0.73 ADRB2 (0.40) FOLH1CNR2TSHRCTSKCTSL
SCHEMBL5330158 0.72 GPR88 (0.35) FOLH1CTSKKLK7
SCHEMBL5330532 0.71 SMN1; SMN2 (0.41)
SCHEMBL5324767 0.71 GPR88 (0.34) CTSKKLK7

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