SCHEMBL19155877

SCHEMBL19155877

CC(C)CCC(=O)NCC(C)(C)CC(C)(C)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CA1 P00915 2/20 0.35
ESR1 P03372 4/20 0.34
P2RX7 Q99572 1/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL21902128 0.80 ALDH1A1 (0.37) ALDH1A1CA1ESR1P2RX7LMNA
SCHEMBL16853373 0.74 MEN1 (0.40)
SCHEMBL2633665 0.74 ALDH1A1 (0.44) ALDH1A1CA1P2RX7LMNAPKM
SCHEMBL13334898 0.73
SCHEMBL16853203 0.73 SMYD3 (0.34)
SCHEMBL25129079 0.72 ALDH1A1 (0.39) ALDH1A1CA1P2RX7LMNAPKM
SCHEMBL19062210 0.72 ALDH1A1 (0.39) ALDH1A1CA1ESR1P2RX7LMNA
SCHEMBL13334643 0.72 MEN1 (0.32)
SCHEMBL25129044 0.71 ALDH1A1 (0.38) ALDH1A1CA1P2RX7LMNAPKM
SCHEMBL13334844 0.71 PAOX (0.36) 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
US-9714421-B2 Compositions and methods IONIS PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed