SCHEMBL29706288

SCHEMBL29706288

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.55
▸ FDFT1 P37268 2/20 0.48
▸ F2 P00734 2/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ MDM4 O15151 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CTSK P43235 2/20 0.40
▸ CTSL P07711 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL29749447 0.91 CTRB1 (0.48) CTRB1FDFT1F2KMT2AMDM4
SCHEMBL6434028 0.89 CTRB1 (0.56) CTRB1F2KMT2AHSD17B10
SCHEMBL29868206 0.89 CTRB1 (0.56) CTRB1F2KMT2AHSD17B10
SCHEMBL29858987 0.89 CTRB1 (0.46) CTRB1FDFT1F2KMT2AMDM4
SCHEMBL29566581 0.89 CTRB1 (0.46) CTRB1FDFT1F2KMT2AMDM4
SCHEMBL29777655 0.88 CTRB1 (0.46) CTRB1FDFT1F2KMT2AMDM4
SCHEMBL31501508 0.88 CTRB1 (0.46) CTRB1FDFT1F2KMT2AMDM4
SCHEMBL29750784 0.87 ACE (0.45) CTRB1FDFT1F2
SCHEMBL30585183 0.87 CTRB1 (0.45) CTRB1FDFT1F2KMT2AMDM4
SCHEMBL29777648 0.86 ACE (0.49) CTRB1FDFT1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116554269-A Full synthesis method of diphenyl phosphonoxy benzhydrylamine label auxiliary liquid-phase eptifibatide 山西医科大学 2023-08-08 — — CN claimed
CN-119080882-A Eptifibatide derivative and preparation method thereof 山西医科大学 2024-12-06 — — CN disclosed
CN-118946593-A Insulin hybrid peptide containing chymotrypsin inhibitory peptide and application thereof 中国医学科学院药物研究所 2024-11-12 — — CN disclosed
CN-117186237-A Insulin hybrid peptide containing chymotrypsin inhibitory peptide and application thereof 中国医学科学院药物研究所 2023-12-08 — — CN disclosed
CN-117069797-A Liquid phase synthesis method of eptifibatide 山西医科大学 2023-11-17 — — CN disclosed
CN-116615436-A Disulfide bond-containing polypeptide with serine protease activity inhibiting function, hybrid peptide derived from disulfide bond-containing polypeptide and application of disulfide bond-containing polypeptide 中国医学科学院药物研究所 2023-08-18 — — CN disclosed
CN-116554269-A Full synthesis method of diphenyl phosphonoxy benzhydrylamine label auxiliary liquid-phase eptifibatide 山西医科大学 2023-08-08 — — CN disclosed
CN-114573686-A Polypeptide containing disulfide bond and having serine protease activity inhibition function and application thereof 中国医学科学院药物研究所 2022-06-03 — — CN disclosed
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