SCHEMBL5331601

SCHEMBL5331601

CCCCC(C(=O)O)N(C)C(=N)NC(=O)OC(C)OC(=O)CCCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.39
FOLH1 Q04609 2/20 0.39
MGLL Q99685 1/20 0.39
CTSK P43235 4/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSH P09668 1/20 0.37
PTGES O14684 1/20 0.37
PPARG P37231 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
LMNA P02545 1/20 0.36
PKM P14618 1/20 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
SCHEMBL5330532 0.91 SMN1; SMN2 (0.41) FAAHMGLLHPGDSMN1; SMN2ALOX5
SCHEMBL5331040 0.89 HPGD (0.40) FAAHMGLLHPGDSMN1; SMN2ALOX5
SCHEMBL5331767 0.80 FAAH (0.40) FAAHMGLLHPGD
SCHEMBL5331598 0.80 POLB (0.38) FOLH1CTSKLMNA
SCHEMBL5329549 0.80 TDP1 (0.39) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5330165 0.80 FOLH1 (0.39) FAAHFOLH1
SCHEMBL5330077 0.79 FOLH1 (0.40) FOLH1CTSKCTSLCTSBCTSH
SCHEMBL5324777 0.77 FOLH1 (0.36) FAAHFOLH1CTSKHPGDCTSL
SCHEMBL5331057 0.76 FAAH (0.38) FAAHFOLH1SMN1; SMN2
SCHEMBL5418461 0.75 FAAH (0.37) FAAHFOLH1MGLLCTSKALOX5

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