SCHEMBL20599006

SCHEMBL20599006

CCCCCCCCCCCCCCC(N)(N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.50
FDPS P14324 2/20 0.50
CES2 O00748 1/20 0.45
PPARG P37231 5/20 0.44
PPARD Q03181 5/20 0.44
PPARA Q07869 5/20 0.44
HDAC11 Q96DB2 4/20 0.44
TSHR P16473 3/20 0.44
GPR84 Q9NQS5 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
PTPN1 P18031 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
MEN1 O00255 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44
PDE4A P27815 1/20 0.44

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
SCHEMBL31018949 1.00 SMPD1 (0.50) SMPD1FDPSCES2PPARGPPARD
SCHEMBL1027737 1.00 SMPD1 (0.50) SMPD1FDPSCES2PPARGPPARD
SCHEMBL4421180 1.00 SMPD1 (0.50) SMPD1FDPSCES2PPARGPPARD
SCHEMBL287722 1.00 SMPD1 (0.50) SMPD1FDPSCES2PPARGPPARD
SCHEMBL14931594 1.00 SMPD1 (0.50) SMPD1FDPSCES2PPARGPPARD
SCHEMBL259016 0.98 FDPS (0.48) SMPD1FDPSCES2PPARGPPARD
Propionic Acid SCHEMBL7632408 0.94 SMPD1 (0.46) SMPD1FDPSPPARGPPARDPPARA
SCHEMBL288685 0.91 FDPS (0.46) SMPD1FDPSPPARGPPARDPPARA
Hydrochloric Acid SCHEMBL28391923 0.88 FDPS (0.45) SMPD1FDPSPPARGPPARDPPARA
Hydrochloric Acid SCHEMBL27328297 0.88 FDPS (0.45) SMPD1FDPSPPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021521-B2 Pore-modified gram-negative bacteria and uses thereof THE BOARD OR REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2021-06-01 US disclosed
US-20190002508-A1 PORE-MODIFIED GRAM-NEGATIVE BACTERIA AND USES THEREOF DEFENSE THREAT REDUCTION AGENCY, US DOD 2019-01-03 US disclosed