SCHEMBL20758846

SCHEMBL20758846

NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.55
▸ PTPN1 P18031 7/20 0.51
▸ ECE1 P42892 1/20 0.51
▸ MDM2 Q00987 3/20 0.49
▸ ACE P12821 1/20 0.49

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
SCHEMBL31566096 1.00 TLR2 (0.55) TLR2PTPN1ECE1MDM2ACE
SCHEMBL20759079 1.00 TLR2 (0.55) TLR2PTPN1ECE1MDM2ACE
SCHEMBL20758974 1.00 TLR2 (0.55) TLR2PTPN1ECE1MDM2ACE
SCHEMBL30150290 0.99 TLR2 (0.53) TLR2PTPN1ECE1MDM2
SCHEMBL30193301 0.99 TLR2 (0.53) TLR2PTPN1ECE1MDM2
SCHEMBL30598967 0.97 TLR2 (0.55) TLR2PTPN1ECE1
SCHEMBL30099539 0.96 PTPN1 (0.57) TLR2PTPN1ECE1ACE
SCHEMBL31212512 0.94 TLR2 (0.59) TLR2PTPN1MDM2ACE
SCHEMBL31389333 0.93 TLR2 (0.51) TLR2PTPN1ECE1
SCHEMBL31138058 0.93 PTPN1 (0.57) TLR2PTPN1MDM2

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
WO-2019033171-A1 CELL CULTURE SUBSTRATES MACQUARIE UNIVERSITY (AU) 2019-02-21 — — WO disclosed
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