SCHEMBL30902878

SCHEMBL30902878

O=C(O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.56
▸ ECE1 P42892 1/20 0.56
▸ CASP1 P29466 2/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ CASP7 P55210 1/20 0.56
▸ CASP9 P55211 1/20 0.56
▸ SIRT5 Q9NXA8 1/20 0.55
▸ FOLH1 Q04609 2/20 0.55
▸ HTT P42858 1/20 0.53
▸ CTSL P07711 4/20 0.53
▸ CTSS P25774 2/20 0.53
▸ CTSK P43235 4/20 0.52
▸ TACR1 P25103 2/20 0.52
▸ CTSB P07858 1/20 0.51

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
SCHEMBL7624700 0.95 FOLH1 (0.59) MMEECE1CASP1FOLH1HTT
SCHEMBL2921260 0.95 FOLH1 (0.59) MMEECE1CASP1FOLH1HTT
SCHEMBL677997 0.95 FOLH1 (0.59) MMEECE1CASP1FOLH1HTT
SCHEMBL9697579 0.92 MME (0.65) MMEECE1CASP1CASP3CASP7
SCHEMBL13884435 0.89 MME (0.64) MMEECE1CASP1CASP3CASP7
SCHEMBL1426719 0.89 MME (0.64) MMEECE1CASP1CASP3CASP7
SCHEMBL13957718 0.89 MME (0.64) MMEECE1CASP1CASP3CASP7
SCHEMBL4910765 0.88 FOLH1 (0.58) MMEECE1CASP1FOLH1HTT
SCHEMBL10565196 0.88 FOLH1 (0.58) MMEECE1CASP1FOLH1HTT
SCHEMBL6384215 0.88 CTSL (0.66) SIRT5CTSLCTSSCTSKTACR1

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-2024105205-A1 ANTIBODY-DRUG CONJUGATES (A2DCS) WITH ENZYMATICALLY CLEAVABLE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-23 — — WO disclosed
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