SCHEMBL27189806

SCHEMBL27189806

[CH2]c1ccc(NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCCC#Cc3cnc(S(C)(=O)=O)nc3)nn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 4/20 0.34
▸ DGAT1 O75907 3/20 0.32
▸ NMT2 O60551 1/20 0.32
▸ NMT1 P30419 1/20 0.32
▸ CCKAR P32238 1/20 0.31
▸ CCKBR P32239 1/20 0.31
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ MMP2 P08253 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP8 P22894 1/20 0.30
▸ MMP13 P45452 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
▸ HDAC10 Q969S8 1/20 0.30
▸ HDAC11 Q96DB2 1/20 0.30
▸ HDAC8 Q9BY41 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 0.92 FOLH1 (0.34) FOLH1DGAT1NMT2NMT1CCKAR
SCHEMBL22618763 0.91 FOLH1 (0.34) FOLH1DGAT1NMT2NMT1CCKAR
SCHEMBL26603616 0.91 FOLH1 (0.34) FOLH1DGAT1NMT2NMT1SIRT2
SCHEMBL27189819 0.86 NMT2 (0.33) FOLH1NMT2NMT1HDAC3HDAC4
SCHEMBL27189815 0.82 DGAT1 (0.35) FOLH1DGAT1CCKARCCKBROPRM1
SCHEMBL23193195 0.81 OPRM1 (0.34) FOLH1SIRT2OPRM1MMP2MMP9
SCHEMBL22618791 0.79 FOLH1 (0.34) FOLH1DGAT1CCKARCCKBROPRM1
SCHEMBL27409838 0.78 FOLH1 (0.31) FOLH1OPRM1MMP2MMP9MMP8
SCHEMBL21137502 0.78 MMP2 (0.30) MMP2MMP9MMP8MMP13
SCHEMBL22618790 0.78 FOLH1 (0.30) FOLH1OPRM1

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
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
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