SCHEMBL29908060

SCHEMBL29908060

O=C(N[C@@H](Cc1c[nH]cn1)C(=O)O)OCC(Cl)(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 13/20 0.33
▸ ITGA2B P08514 12/20 0.33
▸ ITGAV P06756 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ITGA4 P13612 2/20 0.32
▸ ITGB7 P26010 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL28836215 1.00 ITGB3 (0.33) ITGB3ITGA2BITGAVMEN1KMT2A
SCHEMBL30817667 0.85 CTSK (0.31) —
SCHEMBL3862102 0.83 ITGB3 (0.40) ITGB3ITGA2BITGAV
SCHEMBL3862108 0.83 ITGB3 (0.40) ITGB3ITGA2BITGAV
SCHEMBL753950 0.81 ITGA4 (0.41) ITGB3ITGA2BMEN1KMT2AITGA4
SCHEMBL29908105 0.81 CASP1 (0.46) ALDH1A1
SCHEMBL10883602 0.81 CASP1 (0.46) ALDH1A1
SCHEMBL30457026 0.80 ITGB2 (0.33) —
SCHEMBL1073717 0.80 ITGB2 (0.36) POLB
SCHEMBL214303 0.80 ITGB3 (0.48) ITGB3ITGA2BITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586375-B Method for preparing semaglutin 苏州金顶生物有限公司 2024-07-30 — — CN claimed
CN-117586375-A Method for preparing semaglutin 苏州金顶生物有限公司 2024-02-23 — — CN claimed
CN-117586375-B Method for preparing semaglutin 苏州金顶生物有限公司 2024-07-30 — — CN disclosed
CN-117586375-A Method for preparing semaglutin 苏州金顶生物有限公司 2024-02-23 — — CN disclosed
CN-115053184-A Composition for forming EUV resist underlayer film 日产化学株式会社 2022-09-13 — — CN disclosed
Send feedback