SCHEMBL29414973

SCHEMBL29414973

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

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.60
▸ NAALAD2 Q9Y3Q0 1/20 0.53
▸ KMT2A Q03164 1/20 0.52
▸ MDM4 O15151 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ TLR2 O60603 2/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ MME P08473 1/20 0.47
▸ ECE1 P42892 1/20 0.47

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
SCHEMBL29650794 0.96 PTPN1 (0.60) PTPN1NAALAD2KMT2AMDM4TP53
SCHEMBL12658035 0.93 PTPN1 (0.58) PTPN1KMT2AMDM4TP53TLR2
SCHEMBL30337038 0.92 CASP3 (0.54) PTPN1KMT2AMDM4TP53CASP3
SCHEMBL29432643 0.92 MDM4 (0.55) PTPN1KMT2AMDM4TP53CASP3
SCHEMBL29483566 0.92 MDM4 (0.55) PTPN1KMT2AMDM4TP53CASP3
SCHEMBL10049934 0.92 MDM4 (0.55) PTPN1KMT2AMDM4TP53CASP3
SCHEMBL17431965 0.92 MDM4 (0.55) PTPN1KMT2AMDM4TP53CASP3
SCHEMBL30688532 0.92 MDM4 (0.55) PTPN1KMT2AMDM4TP53CASP3
SCHEMBL29414954 0.91 PTPN1 (0.54) PTPN1NAALAD2KMT2ATLR2
SCHEMBL30041455 0.90 PTPN1 (0.55) PTPN1KMT2AMDM4TP53TLR2

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-110294800-B Preparation method of somaglutide 齐鲁制药有限公司 2022-03-04 — — CN disclosed
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