SCHEMBL5331040

SCHEMBL5331040

CC(OC(=O)CCCc1ccccc1)OC(=O)NC(=N)N(C)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
FAAH O00519 6/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ACE P12821 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MGLL Q99685 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
ALOX5 P09917 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 0.92 SMN1; SMN2 (0.41) HPGDFAAHSMN1; SMN2MGLLADRB2
SCHEMBL5331767 0.90 FAAH (0.40) HPGDFAAHOPRM1OPRD1OPRK1
SCHEMBL5331601 0.89 FAAH (0.39) HPGDFAAHPPARGSMN1; SMN2MGLL
SCHEMBL5331768 0.84 ADRB2 (0.44) HPGDFAAHOPRM1OPRD1OPRK1
SCHEMBL5329549 0.82 TDP1 (0.39) FAAHACECHRNB2CHRNB4CHRNA3
SCHEMBL5331057 0.76 FAAH (0.38) FAAHSMN1; SMN2
SCHEMBL5422914 0.76 ACE (0.41) FAAHACEPPARGPPARA
SCHEMBL5330165 0.74 FOLH1 (0.39) FAAH
SCHEMBL5324557 0.74 TSHR (0.46) SMN1; SMN2ADRB2ADRB1ADRB3LMNA
SCHEMBL5324777 0.73 FOLH1 (0.36) HPGDFAAH

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