SCHEMBL25975647

SCHEMBL25975647

O=C(CNC(=O)OCc1ccccc1)NCC(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NCOC(C(=O)OCc1ccccc1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.47
▸ CTSB P07858 2/20 0.47
▸ CTSS P25774 2/20 0.47
▸ CTSK P43235 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ TACR1 P25103 2/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ TGM2 P21980 1/20 0.42

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
SCHEMBL26290292 1.00 CTSL (0.47) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL25654695 0.86 CTSL (0.51) CTSLCTSBCTSSCTSKTACR1
SCHEMBL26290543 0.86 CTSL (0.46) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL24406186 0.85 CTSL (0.53) CTSLCTSBCTSSCTSKTACR1
SCHEMBL26502139 0.85 CTSL (0.53) CTSLCTSBCTSSCTSKTACR1
SCHEMBL26286461 0.85 CTSL (0.53) CTSLCTSBCTSSCTSKTACR1
SCHEMBL25494726 0.83 CTSL (0.51) CTSLCTSBCTSSCTSKTACR1
SCHEMBL25493905 0.83 CTSL (0.48) CTSLCTSBCTSSCTSKTACR1
SCHEMBL25495062 0.82 QRFPR (0.42) CTSLCTSBCTSS
SCHEMBL31365053 0.82 QRFPR (0.42) CTSLCTSBCTSS

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-4227310-A1 CAMPTOTHECIN DERIVATIVE AND LIGAND-DRUG CONJUGATE THEREOF Sichuan Baili Pharmaceutical Co. Ltd. (CN) 2023-08-16 — — EP disclosed
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