SCHEMBL6902609

SCHEMBL6902609

O=C(O)CCCCCCCCCCCCNO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.63
LMNA P02545 3/20 0.63
NFKB1 P19838 1/20 0.63
PMP22 Q01453 1/20 0.63
PRMT1 Q99873 1/20 0.62
ADRA1A P35348 1/20 0.58
GPR84 Q9NQS5 7/20 0.52
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 2/20 0.52
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
ALDH1A1 P00352 3/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
FABP4 P15090 2/20 0.50
ALOX15 P16050 2/20 0.50

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
SCHEMBL7100034 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22PRMT1
SCHEMBL20518454 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22PRMT1
SCHEMBL6899587 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22PRMT1
SCHEMBL6900773 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22PRMT1
SCHEMBL39829 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22PRMT1
SCHEMBL4941181 0.97
4-(Hydroxyamino)Butanoic Acid SCHEMBL1655977 0.89
4-(Hydroxyamino)Butanoic Acid SCHEMBL28266183 0.86
SCHEMBL25409488 0.81 TSHR (0.67) TSHRLMNANFKB1PMP22PRMT1
SCHEMBL13657827 0.81 TSHR (0.67) TSHRLMNANFKB1PMP22PRMT1

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-20040110729-A1 Primary N-hydroxylamines NIH 2004-06-10 US claimed
US-6455589-B1 AN ORALLY ADMINISTRABLE EFFECTIVE UNIT SOLID DOSAGE OF A PRIMARY N-HYDROXYLAMINE OR A SALT, FREE OF NITRONE; USEFUL FOR REDUCING OXIDATIVE DAMAGE OR DELAYING SENESCENCE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-09-24 US claimed