SCHEMBL30060169

SCHEMBL30060169

COC[C@H]1C[C@@H](NC(=O)c2ncc(-c3cccc(OC(F)(F)F)c3)o2)CN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.43
▸ HDAC6 Q9UBN7 4/20 0.43
▸ FAAH O00519 3/20 0.42
▸ PIM1 P11309 9/20 0.38
▸ MAPT P10636 1/20 0.37
▸ RIPK1 Q13546 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ TYRO3 Q06418 1/20 0.35

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
SCHEMBL30230922 1.00 HDAC1 (0.43) HDAC1HDAC6FAAHPIM1MAPT
SCHEMBL30061997 0.91 HDAC1 (0.41) HDAC1HDAC6FAAHPIM1MAPT
SCHEMBL30062624 0.91 HDAC1 (0.41) HDAC1HDAC6FAAHPIM1MAPT
SCHEMBL25258088 0.89 HDAC1 (0.50) HDAC1HDAC6FAAHPIM1RIPK1
SCHEMBL25305510 0.89 HDAC1 (0.50) HDAC1HDAC6FAAHPIM1RIPK1
SCHEMBL28971352 0.89 HDAC1 (0.50) HDAC1HDAC6FAAHPIM1RIPK1
SCHEMBL30060139 0.88 HDAC1 (0.42) HDAC1HDAC6FAAHPIM1MAPT
SCHEMBL30060110 0.88 HDAC1 (0.42) HDAC1HDAC6FAAHPIM1MAPT
SCHEMBL25215127 0.87 HDAC1 (0.39) HDAC1HDAC6FAAHPIM1
SCHEMBL25215715 0.86 HDAC1 (0.38) HDAC1HDAC6FAAHPIM1

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
CN-115461340-A N-cyanopyrrolidines having activity as USP30 inhibitors 特殊治疗有限公司 2022-12-09 — — CN disclosed
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