SCHEMBL25045555

SCHEMBL25045555

O=CNCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.51
▸ CTSL P07711 1/20 0.51
▸ CTSB P07858 1/20 0.51
▸ MME P08473 5/20 0.50
▸ ACE P12821 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ECE1 P42892 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ NPEPPS P55786 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CTSK P43235 1/20 0.47
▸ OPRD1 P41143 3/20 0.47
▸ OPRM1 P35372 2/20 0.47
▸ OPRK1 P41145 1/20 0.47

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
SCHEMBL27354682 0.96 CTSB (0.48) CTSSCTSLCTSBMMEACE
SCHEMBL24158538 0.87 ACE (0.49) CTSSCTSLCTSBMMEACE
SCHEMBL24183746 0.85 OPRD1 (0.45) CTSSCTSLCTSBCTSKOPRD1
SCHEMBL3495410 0.85 ACE (0.57) MMEACEECE1
SCHEMBL26154352 0.85 REN (0.45) CTSSCTSLCTSBCTSKOPRD1
SCHEMBL7587101 0.82 CTSS (0.54) CTSSCTSLCTSBMMEACE
SCHEMBL1848846 0.82 CTSS (0.54) CTSSCTSLCTSBMMEACE
SCHEMBL30051602 0.82 CTSS (0.54) CTSSCTSLCTSBMMEACE
SCHEMBL24158317 0.82 NPC1 (0.46) CTSSCTSLCTSBACEALDH1A1
SCHEMBL6474029 0.82 OPRD1 (0.64) CTSSCTSLCTSBMMEOPRD1

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
WO-2023016488-A1 MICROTUBULE INHIBITOR-BASED ANTIBODY-DRUG CONJUGATE 昆山新蕴达生物科技有限公司 2023-02-16 — — WO disclosed
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