SCHEMBL31478692

SCHEMBL31478692

CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 1/20 0.46
▸ ACE P12821 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ CTSS P25774 2/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ MDM4 O15151 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL17196273 1.00 KLK5 (0.46) KLK5ACEMAPTTDP1KMT2A
SCHEMBL29539925 1.00 KLK5 (0.46) KLK5ACEMAPTTDP1KMT2A
SCHEMBL20646383 1.00 KLK5 (0.46) KLK5ACEMAPTTDP1KMT2A
SCHEMBL30722033 0.91 CTSS (0.47) ACEMAPTTDP1CTSSCTSL
SCHEMBL18495625 0.91 CTSS (0.47) ACEMAPTTDP1CTSSCTSL
SCHEMBL30597646 0.91 CTSS (0.47) ACEMAPTTDP1CTSSCTSL
SCHEMBL30597634 0.91 CTSS (0.47) ACEMAPTTDP1CTSSCTSL
SCHEMBL27332954 0.91 CTSS (0.47) ACEMAPTTDP1CTSSCTSL
SCHEMBL18495627 0.90 ATM (0.48) KMT2APOLB
SCHEMBL31246036 0.89 KMT2A (0.43) KLK5ACEMAPTTDP1KMT2A

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-2025051124-A1 AURISTATIN F ANALOGUE, ANTIBODY DRUG CONJUGATE AND USE THEREOF 诺灵生物医药科技(北京)有限公司 2025-03-13 — — WO disclosed
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