SCHEMBL7693073

SCHEMBL7693073

C[CH]C(C)C(=O)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.50
ATM Q13315 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL8958945 0.85 ELANE (0.50) ELANEATML3MBTL1ALDH1A1MEN1
SCHEMBL10776089 0.83 ELANE (0.49) ELANEATML3MBTL1ALDH1A1MEN1
SCHEMBL10062284 0.81 ELANE (0.47) ELANEATML3MBTL1ALDH1A1MEN1
Acetaldehyde SCHEMBL21059045 0.81 ELANE (0.64) ELANEATML3MBTL1ALDH1A1MEN1
SCHEMBL4316974 0.80 ELANE (0.46) ELANEATML3MBTL1ALDH1A1MEN1
SCHEMBL29187166 0.79 ELANE (0.72) ELANEATML3MBTL1ALDH1A1MEN1
SCHEMBL2459478 0.79 ELANE (0.56) ELANEATML3MBTL1ALDH1A1MEN1
SCHEMBL514357 0.79 ELANE (0.72) ELANEATML3MBTL1ALDH1A1MEN1
SCHEMBL3345326 0.78 ELANE (0.47) ELANEATML3MBTL1ALDH1A1MEN1
SCHEMBL28129878 0.78 ELANE (0.47) ELANEATML3MBTL1ALDH1A1MEN1

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
US-6337305-B1 HERBICIDES FOR AGRICULTURE BASF AKTIENGESELLSCHAFT (DE) 2002-01-08 US disclosed
EP-0968188-A1 SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-01-05 EP disclosed
WO-1998042671-A1 SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed