SCHEMBL17029441

SCHEMBL17029441

NCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.45
▸ ITGA2B P08514 2/20 0.45
▸ NMT1 P30419 5/20 0.42
▸ NMT2 O60551 4/20 0.42
▸ SLC6A5 Q9Y345 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ EPHX2 P34913 2/20 0.40
▸ FOLH1 Q04609 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ TLR2 O60603 1/20 0.37

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
SCHEMBL25559845 0.88 PTGS1 (0.47) ITGB3ITGA2BNMT1NMT2SLC6A5
SCHEMBL17177670 0.85 ITGB3 (0.43) ITGB3ITGA2BEPHX2PTGS1GSTK1
SCHEMBL17029467 0.81 ITGB3 (0.53) ITGB3ITGA2BPTPN1GRIA1
SCHEMBL21320323 0.81 PTGS1 (0.49) ITGB3ITGA2BALDH1A1LMNARECQL
SCHEMBL18515902 0.81 PTGS1 (0.49) ITGB3ITGA2BALDH1A1LMNARECQL
SCHEMBL3052861 0.81 LPAR3 (0.45) SLC6A5MEN1KMT2AEPHX2TLR2
SCHEMBL21320215 0.79 EPHX2 (0.53) ITGB3ITGA2BSLC6A5MEN1KMT2A
SCHEMBL17177503 0.79 MEN1 (0.47) ITGB3ITGA2BNMT1NMT2SLC6A5
SCHEMBL17177497 0.79 MAOA (0.50) SLC6A5MEN1ALDH1A1PLGLMNA
SCHEMBL4637261 0.79 FAAH (0.51) SLC6A5MEN1KMT2AEPHX2

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
EP-2910573-A1 ANTIBODY-DRUG CONJUGATE PRODUCED BY BINDING THROUGH LINKER HAVING HYDROPHILIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-08-26 — — EP disclosed
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