SCHEMBL30967604

SCHEMBL30967604

CC(C)(C)OC(=O)N[C@@H](CNC(=O)OCc1ccccc1)C(=O)NCCO

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.58
CTSS P25774 8/20 0.55
CTSK P43235 8/20 0.54
CTSL P07711 4/20 0.54
CTSB P07858 4/20 0.54
AKT1 P31749 1/20 0.53
MAPT P10636 1/20 0.52
PPARA Q07869 1/20 0.50
CAPN1 P07384 1/20 0.49
CAPN2 P17655 1/20 0.49

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
SCHEMBL9227553 0.92 SYK (0.62) SYKCTSSCTSKCTSLCTSB
SCHEMBL6241676 0.88 SYK (0.61) SYKCTSSCTSKCTSLCTSB
SCHEMBL25022113 0.88 SYK (0.57) SYKMAPT
SCHEMBL27696907 0.87 CTSS (0.57) SYKCTSSCTSKCTSLCTSB
SCHEMBL5044640 0.87 SYK (0.60) SYKCTSSCTSKCTSLCTSB
SCHEMBL19934131 0.86 SYK (0.61) SYKCTSSCTSKCTSLCTSB
SCHEMBL1022494 0.86 SYK (0.65) SYKCTSSCTSKCTSLCTSB
SCHEMBL17841824 0.86 SYK (0.65) SYKCTSSCTSKCTSLCTSB
SCHEMBL606625 0.86 SYK (0.65) SYKCTSSCTSKCTSLCTSB
SCHEMBL14842312 0.85 SYK (0.64) SYKCTSSCTSKCTSLCTSB

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
EP-4615838-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS Merck Patent GmbH (DE) 2025-09-17 EP disclosed
WO-2024099898-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-05-16 WO disclosed