SCHEMBL29695539

SCHEMBL29695539

NC(=O)C[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDCD1LG2 Q9BQ51 1/20 0.45
▸ CD274 Q9NZQ7 1/20 0.45
▸ TGFBR1 P36897 1/20 0.41
▸ ECE1 P42892 2/20 0.40
▸ OPRM1 P35372 4/20 0.38
▸ OPRD1 P41143 4/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ MME P08473 4/20 0.38
▸ PTGS1 P23219 1/20 0.36
▸ GSTK1 Q9Y2Q3 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL31544048 0.91 PDCD1LG2 (0.41) PDCD1LG2CD274TGFBR1ECE1OPRM1
SCHEMBL31544014 0.91 PDCD1LG2 (0.41) PDCD1LG2CD274ECE1OPRM1OPRD1
SCHEMBL31039962 0.90 PDCD1LG2 (0.46) PDCD1LG2CD274TGFBR1ECE1OPRM1
SCHEMBL29630639 0.90 TGFBR1 (0.42) TGFBR1OPRM1OPRD1OPRK1MME
SCHEMBL31544046 0.89 PDCD1LG2 (0.41) PDCD1LG2CD274ECE1OPRM1OPRD1
SCHEMBL31544011 0.89 PDCD1LG2 (0.41) PDCD1LG2CD274ECE1OPRM1OPRD1
SCHEMBL31544032 0.89 PDCD1LG2 (0.41) PDCD1LG2CD274ECE1OPRM1OPRD1
SCHEMBL31544020 0.89 PDCD1LG2 (0.41) PDCD1LG2CD274ECE1OPRM1OPRD1
SCHEMBL31544025 0.89 PDCD1LG2 (0.41) PDCD1LG2CD274ECE1OPRM1OPRD1
SCHEMBL31544050 0.89 PDCD1LG2 (0.41) PDCD1LG2CD274ECE1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267193-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF Ludwig-Maximilians-Universität München (DE) 2023-11-01 — — EP disclosed
WO-2022136555-A9 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-09-22 — — WO disclosed
WO-2022136555-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-06-30 — — WO disclosed
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