SCHEMBL27810312

SCHEMBL27810312

NCCCC[C@H](NCc1ccccc1)C(=O)NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.56
CPB2 Q96IY4 5/20 0.56
EPHX1 P07099 1/20 0.51
HPGD P15428 1/20 0.51
F12 P00748 1/20 0.49
ALDH1A1 P00352 2/20 0.48
EPHX2 P34913 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
F2 P00734 1/20 0.47

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
SCHEMBL27788536 1.00 TLR2 (0.56) TLR2CPB2EPHX1HPGDF12
SCHEMBL27788535 1.00 TLR2 (0.56) TLR2CPB2EPHX1HPGDF12
SCHEMBL27810314 1.00 TLR2 (0.56) TLR2CPB2EPHX1HPGDF12
SCHEMBL3650068 0.81 TLR2 (0.67) TLR2CPB2
SCHEMBL1976380 0.81 TLR2 (0.67) TLR2CPB2
SCHEMBL26477889 0.80 HDAC1 (0.64) TLR2CPB2EPHX1ALDH1A1
SCHEMBL7761851 0.80 CPB2 (0.55) CPB2ALDH1A1EPHX2TDP1L3MBTL1
SCHEMBL28217516 0.77 TLR2 (0.62) TLR2CPB2
SCHEMBL28787706 0.77 TLR2 (0.54) TLR2CPB2HPGDF12
SCHEMBL28787708 0.77 TLR2 (0.54) TLR2CPB2HPGDF12

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101724016-B Peptide compound, preparation method and application thereof LI MIN 2013-09-25 CN claimed
CN-102924567-A Peptide compound and preparation method and use of peptide compound SHANGHAI INST PHARM INDUSTRY 2013-02-13 CN claimed
CN-101724016-A Peptide compound, preparation method and application thereof MIN LI 2010-06-09 CN claimed
CN-102924567-B Peptide compound and preparation method and use of peptide compound SHANGHAI INST PHARM INDUSTRY 2014-06-04 CN disclosed
CN-101724016-B Peptide compound, preparation method and application thereof LI MIN 2013-09-25 CN disclosed
CN-102924567-A Peptide compound and preparation method and use of peptide compound SHANGHAI INST PHARM INDUSTRY 2013-02-13 CN disclosed
CN-101724016-A Peptide compound, preparation method and application thereof MIN LI 2010-06-09 CN disclosed