SCHEMBL31454057

SCHEMBL31454057

CC(C)[C@H](NC(=O)CN)C(=O)N[C@@H](CCCNC(N)=O)C(=O)NCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 10/20 0.42
▸ NMT2 O60551 1/20 0.37
▸ NMT1 P30419 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.36
▸ PRSS1 P07477 2/20 0.36
▸ CTSL P07711 1/20 0.35
▸ GLO1 Q04760 1/20 0.35
▸ C3AR1 Q16581 1/20 0.35
▸ QRFPR Q96P65 1/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ GSTK1 Q9Y2Q3 1/20 0.34

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
SCHEMBL29385639 0.88 C3AR1 (0.45) FURINC3AR1
SCHEMBL8355213 0.88 NMT2 (0.45) FURINNMT2NMT1SIRT6SIRT1
SCHEMBL21437110 0.88 NMT2 (0.45) FURINNMT2NMT1SIRT6SIRT1
SCHEMBL22698746 0.87 FURIN (0.38) FURINNMT2NMT1SIRT6SIRT1
SCHEMBL24191073 0.84 C3AR1 (0.42) FURINPRSS1C3AR1QRFPR
SCHEMBL31319761 0.83 C3AR1 (0.41) FURINPRSS1C3AR1QRFPR
SCHEMBL29590144 0.82 GLO1 (0.39) FURINNMT2NMT1SIRT6SIRT1
SCHEMBL30087255 0.81 FURIN (0.43) FURINNMT2NMT1PRSS1QRFPR
SCHEMBL29379162 0.81 C3AR1 (0.42) FURINNMT2NMT1CTSLC3AR1
SCHEMBL7205976 0.80 FURIN (0.45) FURINNMT2NMT1SIRT6SIRT1

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
WO-2025031383-A1 BIFUNCTIONAL LINKER COMPOUND, ANTIBODY DRUG CONJUGATE, PREPARATION METHOD FOR ANTIBODY DRUG CONJUGATE, AND USE OF ANTIBODY DRUG CONJUGATE 杭州爱科瑞思生物医药有限公司 2025-02-13 — — WO claimed
WO-2025031383-A1 BIFUNCTIONAL LINKER COMPOUND, ANTIBODY DRUG CONJUGATE, PREPARATION METHOD FOR ANTIBODY DRUG CONJUGATE, AND USE OF ANTIBODY DRUG CONJUGATE 杭州爱科瑞思生物医药有限公司 2025-02-13 — — WO disclosed
Send feedback