SCHEMBL27410347

SCHEMBL27410347

CC(C)CCOC(C)(C)CCn1cc(CCNC(=O)CCCC#Cc2cnc(S(C)(=O)=O)nc2)nn1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ ZDHHC20 Q5W0Z9 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL27411159 0.81 GLS (0.32) —
SCHEMBL27409296 0.73 — —
SCHEMBL23193195 0.73 OPRM1 (0.34) FOLH1MMP2MMP9MMP8MMP13
SCHEMBL27409838 0.72 FOLH1 (0.31) FOLH1MMP2MMP9MMP8MMP13
SCHEMBL22561301 0.72 — —
SCHEMBL27409884 0.69 GLS (0.33) —
SCHEMBL25045543 0.69 PARP14 (0.31) —
SCHEMBL27409581 0.68 GLS (0.33) —
SCHEMBL25701620 0.68 CA2 (0.34) HPGD
SCHEMBL22551273 0.68 CYP1A2 (0.32) —

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-2024123914-A1 PROCESS FOR MAKING ANTIBODY-DRUG CONJUGATES MERCK SHARP & DOHME LLC (US) 2024-06-13 — — WO disclosed
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