SCHEMBL17553454

SCHEMBL17553454

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.48
▸ CTSL P07711 1/20 0.44
▸ TLR2 O60603 2/20 0.44
▸ GRB2 P62993 1/20 0.43
▸ CPB2 Q96IY4 1/20 0.42
▸ GHSR Q92847 1/20 0.41
▸ ERAP2 Q6P179 1/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40
▸ LNPEP Q9UIQ6 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
SCHEMBL17553561 0.86 CASP3 (0.48) PTPN1
SCHEMBL17553670 0.85 CTSL (0.47) CTSLCPB2GHSRERAP2ERAP1
SCHEMBL17553455 0.84 TLR2 (0.55) PTPN1TLR2
SCHEMBL14374768 0.83 PTPN1 (0.55) PTPN1CTSLTLR2GRB2
SCHEMBL17553668 0.81 PTPN1 (0.43) PTPN1
SCHEMBL19423735 0.80 TLR2 (0.59) PTPN1TLR2
SCHEMBL19423749 0.79 TLR2 (0.55) PTPN1CTSLTLR2GRB2
SCHEMBL30193301 0.79 TLR2 (0.53) PTPN1CTSLTLR2
SCHEMBL30598967 0.79 TLR2 (0.55) PTPN1TLR2
SCHEMBL30150290 0.79 TLR2 (0.53) PTPN1CTSLTLR2

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-2016029324-A1 AZASULFURYLPEPTIDE-BASED CD36 MODULATORS AND USES THEREOF RSEM, LIMITED PARTNERSHIP (CA) 2016-03-03 — — WO disclosed
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