SCHEMBL4968856

SCHEMBL4968856

CCCCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)OCC(CC)CCCC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
CYP3A4 P08684 2/20 0.51
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NOD1 Q9Y239 7/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.42
FAAH O00519 1/20 0.42
MAPK1 P28482 1/20 0.42
PLA2G2C Q5R387 1/20 0.42
DNM1 Q05193 1/20 0.42
RECQL P46063 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CA2 P00918 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL28000179 0.94 KMT2A (0.51) TSHRCYP3A4ATMTDP1NOD1
SCHEMBL28511128 0.93 KMT2A (0.52) NOD1KMT2APOLBMEN1FAAH
SCHEMBL483582 0.93 KMT2A (0.52) NOD1KMT2APOLBMEN1FAAH
SCHEMBL3773057 0.89 PLA2G2C (0.56) TSHRCYP3A4ATMTDP1NOD1
SCHEMBL3773048 0.89 TSHR (0.63) TSHRCYP3A4ATMTDP1NOD1
SCHEMBL3773052 0.89 TSHR (0.63) TSHRCYP3A4ATMTDP1NOD1
SCHEMBL3773213 0.84 KMT2A (0.69) NOD1KMT2APOLBMEN1FAAH
SCHEMBL3773778 0.84 KMT2A (0.69) NOD1KMT2APOLBMEN1FAAH
SCHEMBL3776147 0.84 KMT2A (0.69) NOD1KMT2APOLBMEN1FAAH
SCHEMBL27754307 0.84 KMT2A (0.69) NOD1KMT2APOLBMEN1FAAH

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
EP-1980237-B1 GELLING AGENT AJINOMOTO KK (JP) 2013-10-02 EP disclosed
EP-1980237-A1 GELLING AGENT Ajinomoto Co., Inc. (JP) 2008-10-15 EP disclosed