SCHEMBL8865366

SCHEMBL8865366

[CH2][C@@H](CC(C)C)NC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
KISS1R Q969F8 4/20 0.34
ADAM17 P78536 1/20 0.34
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL8865363 1.00 ALDH1A1 (0.54) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL8198625 0.87 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL8150869 0.75 ALDH1A1 (0.58) ALDH1A1MEN1LMNAKMT2A
SCHEMBL6218251 0.75
SCHEMBL8365133 0.75 ALDH1A1 (0.58) ALDH1A1MEN1LMNAKMT2A
SCHEMBL17640940 0.75 ALDH1A1 (0.58) ALDH1A1MEN1LMNAKMT2A
SCHEMBL8865607 0.74 CA1 (0.40) ALDH1A1MEN1KMT2ARNPEP
SCHEMBL8865600 0.74 CA1 (0.40) ALDH1A1MEN1KMT2ARNPEP
SCHEMBL20179252 0.74 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL21488669 0.73 ALDH1A1 (0.60) ALDH1A1MEN1LMNAKMT2AMAPT

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
US-5686469-A ANTIINFLAMMATORY AGENTS MILES INC. (US) 1997-11-11 US claimed
US-5686469-A ANTIINFLAMMATORY AGENTS MILES INC. (US) 1997-11-11 US disclosed