SCHEMBL30895476

SCHEMBL30895476

CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.51
▸ GRB2 P62993 1/20 0.46
▸ SIRT5 Q9NXA8 1/20 0.44
▸ TLR2 O60603 2/20 0.42
▸ MMP3 P08254 1/20 0.41

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
SCHEMBL13311052 0.93 TLR2 (0.45) PTPN1SIRT5TLR2
SCHEMBL29371674 0.93 TLR2 (0.45) PTPN1SIRT5TLR2
SCHEMBL13196227 0.93 TLR2 (0.45) PTPN1SIRT5TLR2
SCHEMBL23477323 0.92 TLR2 (0.45) PTPN1TLR2
SCHEMBL84123 0.90 CASP3 (0.45) PTPN1TLR2
SCHEMBL12944386 0.90 CASP3 (0.45) PTPN1TLR2
SCHEMBL13830419 0.90 CASP3 (0.45) PTPN1TLR2
SCHEMBL22387795 0.90 CASP3 (0.45) PTPN1TLR2
SCHEMBL10066102 0.90 CASP3 (0.45) PTPN1TLR2
SCHEMBL16450347 0.90 PTPN1 (0.48) PTPN1GRB2SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4608451-A1 CD70 ANTIBODY DRUG CONJUGATES AND METHODS OF USING THE SAME Genmab A/S (DK) 2025-09-03 — — EP disclosed
WO-2024092067-A1 CD70 ANTIBODY DRUG CONJUGATES AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2024-05-02 — — WO disclosed
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