Sugi Predict

Sugi Predict / Compounds / SCHEMBL9205017

SCHEMBL9205017

SCHEMBL9205017

CC(C)(C)n1nnnc1CCCO

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPK1 P28482 1/20 0.32
▸ TLR8 Q9NR97 4/20 0.32
▸ FAAH O00519 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
SCHEMBL4405392 0.83 ALDH1A1 (0.51) ALDH1A1HDAC1HDAC6LMNANPSR1
SCHEMBL4409018 0.81 ALDH1A1 (0.50) ALDH1A1HDAC1HDAC6LMNANPSR1
SCHEMBL22069560 0.80 ALDH1A1 (0.51) ALDH1A1HDAC1HDAC6LMNANPSR1
SCHEMBL4403650 0.80 ALDH1A1 (0.49) ALDH1A1HDAC1HDAC6LMNANPSR1
SCHEMBL4406782 0.79 ALDH1A1 (0.54) ALDH1A1HDAC1HDAC6LMNANPSR1
SCHEMBL4416287 0.74 ALDH1A1 (0.58) ALDH1A1HDAC1HDAC6LMNANPSR1
SCHEMBL4407852 0.72 ALDH1A1 (0.51) ALDH1A1HDAC1HDAC6LMNANPSR1
SCHEMBL16211963 0.72 ALDH1A1 (0.51) ALDH1A1HDAC1HDAC6LMNANPSR1
SCHEMBL4412051 0.67 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4408382 0.67 ALDH1A1 (0.38) ALDH1A1

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-0489877-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 2-AMINO-6-PHENYL-4H-PYRAN-4-ONES UPJOHN CO (US) 1995-09-20 — — EP disclosed