SCHEMBL21765706

SCHEMBL21765706

CCCC(=O)Nc1ccccc1NC(=O)CC(C)C

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.68
POLB P06746 1/20 0.56
HTT P42858 1/20 0.55
GAA P10253 2/20 0.55
ALDH1A1 P00352 4/20 0.54
LMNA P02545 3/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GLA P06280 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
RAB9A P51151 1/20 0.49
CETP P11597 1/20 0.49
PTPN1 P18031 1/20 0.49

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
SCHEMBL21765874 0.83 PTPN1 (0.71) MAPK1HTTGAAALDH1A1LMNA
SCHEMBL10154842 0.81 HDAC3 (0.58) POLBGAAALDH1A1LMNAHPGD
SCHEMBL12284941 0.81 SMN1; SMN2 (0.59) POLBGAAALDH1A1LMNAHPGD
SCHEMBL29315244 0.81 MAPK1 (1.00) MAPK1HTTGAAALDH1A1LMNA
SCHEMBL19364615 0.81 MAPK1 (0.59) MAPK1HTTGAAALDH1A1LMNA
SCHEMBL4960066 0.79 HPGD (0.62) MAPK1POLBGAAALDH1A1LMNA
SCHEMBL22270637 0.79 PTPN1 (0.56) GAAALDH1A1LMNAHPGDMEN1
SCHEMBL27713876 0.79 POLB (0.59) POLBGAAALDH1A1LMNAHPGD
SCHEMBL24485241 0.78 POLB (0.57) POLBHTTGAAALDH1A1LMNA
SCHEMBL20964580 0.78 HPGD (0.73) POLBGAAALDH1A1LMNAHPGD

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-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed