SCHEMBL8809378

SCHEMBL8809378

CC(C)C[C@H](CN[C@H]1CCOC1O)NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CAPN1 P07384 12/20 0.42
CAPNS1 P04632 1/20 0.41
MLYCD O95822 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL8810535 0.89 CAPN1 (0.52) CAPN1CAPNS1
SCHEMBL8408032 0.88 CAPN1 (0.51) CAPN1CAPNS1NPC1RAB9A
SCHEMBL8404255 0.87 HTT (0.46) CAPN1CAPNS1NPC1RAB9ALMNA
SCHEMBL8809572 0.87 CAPN1 (0.50) CAPN1CAPNS1
SCHEMBL8807780 0.86 TAS1R3 (0.46) CAPN1CAPNS1LMNA
SCHEMBL8812425 0.85 CAPN1 (0.53) CAPN1CAPNS1
SCHEMBL8810413 0.84 TAS1R3 (0.49) CAPN1NPC1RAB9AMEN1KMT2A
SCHEMBL8810404 0.83 CAPN1 (0.46) CAPN1CAPNS1POLB
SCHEMBL8809382 0.82 CAPN1 (0.60) CAPN1CAPNS1
SCHEMBL8809370 0.82 CAPN1 (0.60) CAPN1CAPNS1

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
EP-0810221-A1 OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-03 EP disclosed