SCHEMBL8865607

SCHEMBL8865607

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
PLA2G10 O15496 2/20 0.38
FOLH1 Q04609 2/20 0.36
P2RX7 Q99572 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ANPEP P15144 3/20 0.33
RNPEP Q9H4A4 2/20 0.33
DNPEP Q9ULA0 2/20 0.33
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
PSMB5 P28074 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
SCHEMBL8865600 1.00 CA1 (0.40) CA1PLA2G10FOLH1P2RX7ALDH1A1
SCHEMBL8909364 0.76 MEN1 (0.54) CA1PLA2G10P2RX7ALDH1A1MEN1
SCHEMBL25507281 0.74 ALDH1A1 (0.60) FOLH1ALDH1A1MEN1KMT2A
SCHEMBL27105837 0.74 PLA2G10 (0.47) CA1PLA2G10ALDH1A1ANPEPRNPEP
SCHEMBL20645392 0.74 ALDH1A1 (0.46) CA1PLA2G10FOLH1ALDH1A1MEN1
SCHEMBL5159794 0.74 ALDH1A1 (0.60) FOLH1ALDH1A1MEN1KMT2A
SCHEMBL8864988 0.74 HPGD (0.46) ALDH1A1MEN1KMT2A
SCHEMBL8864936 0.74 HPGD (0.46) ALDH1A1MEN1KMT2A
SCHEMBL8865366 0.74 ALDH1A1 (0.54) ALDH1A1RNPEPMEN1KMT2A
SCHEMBL8865363 0.74 ALDH1A1 (0.54) ALDH1A1RNPEPMEN1KMT2A

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