SCHEMBL31389333

SCHEMBL31389333

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.51
▸ PTPN1 P18031 8/20 0.48
▸ ECE1 P42892 1/20 0.46
▸ CPB1 P15086 1/20 0.46
▸ CPB2 Q96IY4 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ CTSL P07711 1/20 0.45

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
SCHEMBL16450348 0.95 PTPN1 (0.50) TLR2PTPN1KMT2ACTSL
SCHEMBL31389331 0.95 TLR2 (0.55) TLR2PTPN1CPB1CPB2KMT2A
SCHEMBL31566096 0.93 TLR2 (0.55) TLR2PTPN1ECE1
SCHEMBL20759079 0.93 TLR2 (0.55) TLR2PTPN1ECE1
SCHEMBL20758846 0.93 TLR2 (0.55) TLR2PTPN1ECE1
SCHEMBL20758974 0.93 TLR2 (0.55) TLR2PTPN1ECE1
SCHEMBL30193301 0.92 TLR2 (0.53) TLR2PTPN1ECE1CTSL
SCHEMBL30150290 0.92 TLR2 (0.53) TLR2PTPN1ECE1CTSL
SCHEMBL30598967 0.91 TLR2 (0.55) TLR2PTPN1ECE1
SCHEMBL30099539 0.89 PTPN1 (0.57) TLR2PTPN1ECE1KMT2A

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
CN-119255824-A Ligand-drug conjugates with improved pharmacokinetic and drug release profiles 德比欧药物研究有限公司 2025-01-03 — — CN disclosed
Send feedback