SCHEMBL27189815

SCHEMBL27189815

COc1ccc(C(NCCCC[C@H](NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCCC#Cc3cnc(S(C)(=O)=O)nc3)nn2)C(=O)Nc2ccc(COC(=O)O)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.35
▸ DRD2 P14416 2/20 0.32
▸ GRM5 P41594 2/20 0.32
▸ FOLH1 Q04609 1/20 0.32
▸ SETD7 Q8WTS6 1/20 0.31
▸ HDAC8 Q9BY41 2/20 0.31
▸ LYPLA2 O95372 1/20 0.31
▸ OPRM1 P35372 1/20 0.30
▸ CCKAR P32238 2/20 0.30
▸ CCKBR P32239 2/20 0.30
▸ MMP2 P08253 2/20 0.30
▸ MMP9 P14780 2/20 0.30
▸ MMP8 P22894 2/20 0.30
▸ MMP13 P45452 2/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC7 Q8WUI4 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30

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
SCHEMBL22561476 0.85 FOLH1 (0.34) DGAT1DRD2GRM5FOLH1OPRM1
SCHEMBL22618763 0.84 FOLH1 (0.34) DGAT1FOLH1OPRM1CCKARCCKBR
SCHEMBL27189806 0.82 FOLH1 (0.34) DGAT1FOLH1HDAC8OPRM1CCKAR
SCHEMBL31682882 0.80 ELANE (0.35) FOLH1HDAC8HDAC3HDAC4HDAC1
SCHEMBL22618790 0.76 FOLH1 (0.30) FOLH1OPRM1
SCHEMBL23193195 0.75 OPRM1 (0.34) DRD2GRM5FOLH1OPRM1MMP2
SCHEMBL22618791 0.74 FOLH1 (0.34) DGAT1FOLH1SETD7OPRM1CCKAR
SCHEMBL27410348 0.74 CA1 (0.33) —
SCHEMBL26603616 0.73 FOLH1 (0.34) DGAT1FOLH1HDAC8HDAC3HDAC4
SCHEMBL23193003 0.73 FOLH1 (0.35) DRD2FOLH1SETD7HDAC8OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514396-A1 ANTIBODY-DRUG CONJUGATES AND PREPARATION METHODS AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2025-03-05 — — EP disclosed
WO-2023208216-A9 ANTIBODY-DRUG CONJUGATES AND PREPARATION METHODS AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2024-08-29 — — WO disclosed
EP-4349372-A1 ANTIBODY DRUG CONJUGATE, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2024-04-10 — — EP disclosed
WO-2023208216-A1 ANTIBODY-DRUG CONJUGATES AND PREPARATION METHODS AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-11-02 — — WO disclosed
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