SCHEMBL28032315

SCHEMBL28032315

CCCCCCCCCCCCCCCCOC(=O)[C@@H](N)CO.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
EPHX1 P07099 1/20 0.47
NOD1 Q9Y239 2/20 0.47
TSHR P16473 3/20 0.46
HTR2C P28335 1/20 0.45
HCAR2 Q8TDS4 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
FAAH O00519 1/20 0.42
LMNA P02545 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL28032353 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL6691679 0.98 NAAA (0.52) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL6692110 0.98 NAAA (0.52) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL6573127 0.98 NAAA (0.52) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL16086426 0.98 NAAA (0.52) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL1666303 0.98 NAAA (0.52) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL27805677 0.98 NAAA (0.52) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL5585033 0.98 NAAA (0.52) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL1666305 0.98 NAAA (0.52) NAAAEPHX1NOD1TSHRHTR2C
Hydrochloric Acid SCHEMBL6573123 0.96 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C

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
CN-104955472-A Fatty acid acylated amino acids for growth hormone delivery NOVO NORDISK HEALTHCARE AG 2015-09-30 CN disclosed