SCHEMBL25856290

SCHEMBL25856290

CCCCCCCCCCCCOC(=O)C(N)CCCC(N)C(=O)OCCCCCCCCCCCC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.62
NAAA Q02083 1/20 0.52
EPHX1 P07099 1/20 0.48
TSHR P16473 3/20 0.47
HTR2C P28335 1/20 0.46
DPP7 Q9UHL4 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.44
FAAH O00519 1/20 0.43

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
SCHEMBL31029306 0.96 NOD1 (0.58) NOD1NAAAEPHX1TSHRHTR2C
SCHEMBL8666006 0.96 NOD1 (0.58) NOD1NAAAEPHX1TSHRHTR2C
SCHEMBL16053733 0.93 NOD1 (0.71) NOD1NAAA
SCHEMBL8601166 0.92 NOD1 (0.55) NOD1NAAAEPHX1TSHRDPP7
SCHEMBL27586212 0.92 NOD1 (0.55) NOD1NAAAEPHX1TSHRDPP7
SCHEMBL19547623 0.91 NOD1 (0.54) NOD1NAAAEPHX1TSHRHTR2C
SCHEMBL1516507 0.91 NOD1 (0.54) NOD1NAAAEPHX1TSHRHTR2C
SCHEMBL19547629 0.91 NOD1 (0.54) NOD1NAAAEPHX1TSHRHTR2C
SCHEMBL19547626 0.91 NOD1 (0.54) NOD1NAAAEPHX1TSHRHTR2C
SCHEMBL1516508 0.91 NOD1 (0.54) NOD1NAAAEPHX1TSHRHTR2C

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
US-20230220304-A1 TREATMENT COMPOSITIONS WITH MODIFIED AMINO ACID DIMERS THE PROCTER & GAMBLE COMPANY 2023-07-13 US disclosed