SCHEMBL30398019

SCHEMBL30398019

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncc(C(F)(F)F)c(OC3COC3)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPK3 P27361 13/20 0.45
BTK Q06187 1/20 0.44
PTK2 Q05397 1/20 0.44
PARP1 P09874 1/20 0.41
USP30 Q70CQ3 1/20 0.41
IDH1 O75874 1/20 0.41

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
SCHEMBL25531479 1.00 TRPV1 (0.46) TRPV1HDAC4HDAC6MAPK3BTK
SCHEMBL31548557 0.95 MAPK3 (0.48) HDAC4HDAC6MAPK3BTKPTK2
SCHEMBL25596033 0.85 TRPV1 (0.49) TRPV1HDAC4HDAC6MAPK3BTK
SCHEMBL15938357 0.84 MAPK3 (0.51) TRPV1HDAC4HDAC6MAPK3BTK
SCHEMBL15938356 0.84 MAPK3 (0.51) TRPV1HDAC4HDAC6MAPK3BTK
SCHEMBL30697139 0.83 IDH1 (0.44) HDAC4MAPK3PTK2IDH1
SCHEMBL31006774 0.83 TRPV1 (0.42) TRPV1MAPK3PTK2
SCHEMBL30397019 0.80 ULK1 (0.43) MAPK3PTK2
SCHEMBL24704507 0.78 MAPK3 (0.52) TRPV1HDAC4HDAC6MAPK3BTK
SCHEMBL28543270 0.78 MAPK3 (0.52) TRPV1HDAC4HDAC6MAPK3BTK

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-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed