SCHEMBL30967457

SCHEMBL30967457

CC(C)(C)OC(=O)N[C@@H](CNC(=O)OCc1ccccc1)CN1CCn2c(cc3c(OCC(F)(F)F)nccc32)C1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.43
▸ KLK7 P49862 4/20 0.36
▸ KLK5 Q9Y337 4/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ JAK2 O60674 1/20 0.32

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
SCHEMBL30967484 0.87 GAA (0.34) MAPTCTSLALDH1A1LMNASMN1; SMN2
SCHEMBL30967543 0.84 SMN1; SMN2 (0.33) ALDH1A1LMNASMN1; SMN2CTSS
SCHEMBL30967624 0.80 BTK (0.33) LMNA
SCHEMBL30967546 0.78 DYRK1A (0.36) SCN9AJAK2
SCHEMBL30967599 0.74 MDM2 (0.35) —
SCHEMBL30967508 0.71 DYRK1A (0.35) SCN9AJAK2
SCHEMBL28682514 0.69 SYK (0.64) SYKMAPTCTSLATMCTSS
SCHEMBL30500927 0.69 SYK (0.64) SYKMAPTCTSLATMCTSS
SCHEMBL30967529 0.69 HRH3 (0.32) SCN9A
SCHEMBL30967485 0.68 SCN9A (0.35) SCN9A

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
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