SCHEMBL8371529

SCHEMBL8371529

NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.51
▸ PTPN1 P18031 8/20 0.48
▸ TACR1 P25103 1/20 0.46
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ CTSL P07711 1/20 0.44
▸ ECE1 P42892 1/20 0.44

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 0.90 TLR2 (0.55) TLR2PTPN1ECE1
SCHEMBL20759079 0.90 TLR2 (0.55) TLR2PTPN1ECE1
SCHEMBL20758846 0.90 TLR2 (0.55) TLR2PTPN1ECE1
SCHEMBL20758974 0.90 TLR2 (0.55) TLR2PTPN1ECE1
SCHEMBL30150290 0.89 TLR2 (0.53) TLR2PTPN1CTSLECE1
SCHEMBL30598967 0.89 TLR2 (0.55) TLR2PTPN1ECE1
SCHEMBL30193301 0.89 TLR2 (0.53) TLR2PTPN1CTSLECE1
SCHEMBL19423650 0.89 ROCK2 (0.51) TLR2PTPN1PRSS1PRSS2PRSS3
SCHEMBL14374768 0.88 PTPN1 (0.55) TLR2PTPN1CTSL
SCHEMBL19423749 0.88 TLR2 (0.55) TLR2PTPN1CTSL

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-1999052936-A2 ARGININE PEPTIDE ANALOGS USEFUL AS FIBROBLAST GROWTH FACTOR ANTAGONISTS EISAI CO., LTD. (JP) 1999-10-21 — — WO disclosed
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