SCHEMBL6032886

SCHEMBL6032886

NC(=O)CCCCCCCC(C(N)=O)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
GNAI3 P08754 4/20 0.35
GNAO1 P09471 4/20 0.35
GNAI1 P63096 4/20 0.35
OPRD1 P41143 1/20 0.33
PLAU P00749 2/20 0.31
PLAUR Q03405 2/20 0.31
EP300 Q09472 1/20 0.31
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31
RAD52 P43351 1/20 0.31
SLC6A4 P31645 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10413132 0.93 SIGMAR1 (0.43) SIGMAR1GNAI3GNAO1GNAI1OPRD1
SCHEMBL4559648 0.83 SIGMAR1 (0.43) SIGMAR1OPRD1PLAUPLAURSLC6A4
SCHEMBL1077282 0.83 SIGMAR1 (0.38) SIGMAR1OPRD1SLC6A4
SCHEMBL1900357 0.82 SIGMAR1 (0.58) SIGMAR1GNAI3GNAO1GNAI1OPRD1
SCHEMBL2764645 0.80 SIGMAR1 (0.38) SIGMAR1OPRD1PLAUPLAURSLC6A4
SCHEMBL1905214 0.78 SIGMAR1 (0.47) SIGMAR1SLC6A4
SCHEMBL8488533 0.78 PLAU (0.36) SIGMAR1OPRD1PLAUPLAURSLC6A4
SCHEMBL29085077 0.77 SIGMAR1 (0.41) SIGMAR1
SCHEMBL6152515 0.76 L3MBTL1 (0.46) SIGMAR1SLC6A4L3MBTL1
SCHEMBL4557394 0.74 MEN1 (0.39) SIGMAR1OPRD1MEN1KMT2ASLC6A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060020064-A1 Flame-retardant polymer molding compositions CLARIANT GMBH 2006-01-26 US disclosed
WO-1999010276-A1 SILICATE-CONTAINING COMPOSITE MATERIAL E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-03-04 WO disclosed
US-4130517-A Multiphase block and graft copolymers comprising a hydrophilic continuous phase and hydrophobic domains EXXON RESEARCH & ENGINEERING CO. (US) 1978-12-19 US disclosed
US-4104824-A WATER RETENTION AGENTS FOR AGRICULTURAL USE EXXON RESEARCH & ENGINEERING CO. (US) 1978-08-08 US disclosed
US-4057598-A Multiphase block and graft copolymers comprising a hydrophilic continuous phase and hydrophobic domains EXXON RESEARCH & ENGINEERING CO. (US) 1977-11-08 US disclosed