SCHEMBL29858987

SCHEMBL29858987

O=C(O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.46
▸ CMA1 P23946 1/20 0.45
▸ PKLR P30613 1/20 0.44
▸ FDFT1 P37268 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ TLR2 O60603 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MDM4 O15151 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PRCP P42785 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ P2RY12 Q9H244 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
SCHEMBL30585183 0.93 CTRB1 (0.45) CTRB1CMA1FDFT1KMT2ATLR2
SCHEMBL29566581 0.91 CTRB1 (0.46) CTRB1FDFT1KMT2AF2MDM4
SCHEMBL29749447 0.89 CTRB1 (0.48) CTRB1FDFT1KMT2AF2MDM4
SCHEMBL29750784 0.89 ACE (0.45) CTRB1FDFT1TLR2F2PRCP
SCHEMBL29706288 0.89 CTRB1 (0.55) CTRB1FDFT1KMT2AF2MDM4
SCHEMBL29777648 0.88 ACE (0.49) CTRB1FDFT1TLR2F2PRCP
SCHEMBL30690096 0.88 FDFT1 (0.56) CTRB1FDFT1KMT2AF2PRCP
SCHEMBL29868206 0.88 CTRB1 (0.56) CTRB1CMA1KMT2AF2
SCHEMBL6434028 0.88 CTRB1 (0.56) CTRB1CMA1KMT2AF2
SCHEMBL29859475 0.88 PTPN1 (0.50) CMA1FDFT1TLR2MDM4TP53

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-114931651-B Targeting-drug based on antibody IgG1-Fc structural domain, and preparation method and application thereof 武汉大学 2025-03-04 — — CN disclosed
CN-116785404-A Application of polypeptide in treatment of inhibiting NR2B and beta CaMKII and resisting depression 南京医科大学 2023-09-22 — — CN disclosed
CN-113292508-B Synthetic method of cyclic dipeptide containing asparagine or glutamine 陕西慧康生物科技有限责任公司 2022-09-27 — — CN disclosed
CN-115073587-A Synthesis process of semicontinuous liquid phase synthesis bivalirudin 厦门胜泽泰医药科技有限公司 2022-09-20 — — CN disclosed
CN-114931651-A Targeting-drug based on IgG1-Fc structural domain of antibody, and preparation method and application thereof 武汉大学 2022-08-23 — — CN disclosed
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