SCHEMBL9540889

SCHEMBL9540889

CCCCOC(=O)[N]C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.42
TSHR P16473 5/20 0.40
HPGD P15428 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
NAAA Q02083 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX1 P07099 1/20 0.35
ESR1 P03372 3/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR1H2 P55055 1/20 0.35
RNASEL Q05823 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 6/20 0.34

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
SCHEMBL6576430 0.86 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL15843878 0.85 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL15843879 0.85 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL15843720 0.80 NAAA (0.44) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL15843719 0.80 NAAA (0.44) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL5138405 0.80 NAAA (0.56) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL15843756 0.79 NAAA (0.47) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL15843481 0.79 NAAA (0.47) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL15843493 0.79 NAAA (0.47) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL15864647 0.79 NAAA (0.47) ALDH1A1TSHRHCAR2NAAAEPHX1

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-1993009794-A1 SUPPRESSION OF MEGAKARYOCYTOPOIESIS BY NEUTROPHIL ACTIVATING PEPTIDE-2 UNIVERSITY OF PENNSYLVANIA (US) 1993-05-27 WO disclosed