SCHEMBL7531392

SCHEMBL7531392

CNC(=O)C(=O)c1ccccc1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.66
CES2 O00748 2/20 0.65
CES1 P23141 2/20 0.65
ALDH1A1 P00352 4/20 0.53
ALOX15 P16050 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 4/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
PTPN1 P18031 1/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
BCHE P06276 1/20 0.45
LMNA P02545 1/20 0.44
RAB9A P51151 3/20 0.44
IGF1R P08069 1/20 0.43
SRC P12931 1/20 0.43

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
SCHEMBL2156696 0.80 CES2 (1.00) GAACES2CES1ALDH1A1ALOX15
SCHEMBL255025 0.79 GAA (1.00) GAACES2CES1ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL28557631 0.78 GAA (0.96) GAACES2CES1ALDH1A1ALOX15
Water SCHEMBL27791568 0.78 GAA (0.96) GAACES2CES1ALDH1A1ALOX15
SCHEMBL1191330 0.78 HPGD (0.48) GAATDP1NPC1HPGDSMN1; SMN2
SCHEMBL6745300 0.78 LMNA (0.53) GAAALDH1A1KMT2AMEN1NPC1
SCHEMBL27807409 0.77 CES2 (0.74) GAACES2CES1ALDH1A1ALOX15
SCHEMBL16385647 0.76 ALDH1A1 (0.55) GAAALDH1A1KMT2ANPC1HPGD
SCHEMBL6606616 0.76 CES2 (0.65) GAACES2CES1ALDH1A1ALOX15
SCHEMBL31355013 0.76 CES2 (0.65) GAACES2CES1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019366-B1 IMINO OXYPHENYL ACETIC ACID DERIVATIVES, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AND USE THEREOF BASF AG (DE) 2002-03-13 EP disclosed
EP-1019366-A1 IMINO OXYPHENYL ACETIC ACID DERIVATIVES, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-07-19 EP disclosed
US-5994359-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-30 US disclosed
WO-1997024317-A1 IMINO OXYPHENYL ACETIC ACID DERIVATIVES, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1997-07-10 WO disclosed