SCHEMBL7350797

SCHEMBL7350797

O=C(F)CN(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
PAX8 Q06710 2/20 0.42
CCR6 P51684 1/20 0.42
LMNA P02545 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
ENPP2 Q13822 1/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL84134 0.87 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL11790891 0.86 ALDH1A1 (0.48) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL27345712 0.83 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1MAPTHPGD
Potassium Ion SCHEMBL11790895 0.83 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL1782358 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL16207467 0.82 ABCB1 (0.50) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL28459939 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL10377193 0.81 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL9359355 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL8555208 0.81 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1MAPTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0570507-A4 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORP (US) 1994-09-21 EP disclosed
EP-0570507-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1993-11-24 EP disclosed
WO-1992013552-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1992-08-20 WO disclosed