SCHEMBL7688111

SCHEMBL7688111

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.47
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
ATM Q13315 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
RECQL P46063 1/20 0.41
ALOX15 P16050 2/20 0.41
RAB9A P51151 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL237447 0.82 CES2 (0.50) ELANEMAPTALDH1A1L3MBTL1ATM
SCHEMBL20163295 0.81 ELANE (0.45) ELANEMAPTALDH1A1HSP90AA1GAA
SCHEMBL27546729 0.81 ELANE (0.45) ELANEMAPTALDH1A1HSP90AA1GAA
SCHEMBL20174131 0.81 ELANE (0.45) ELANEMAPTALDH1A1HSP90AA1GAA
SCHEMBL14717313 0.81 ELANE (0.45) ELANEMAPTALDH1A1HSP90AA1GAA
Diphenyl Ethanedioat SCHEMBL27942895 0.81 ELANE (0.53) ELANEMAPTALDH1A1HSP90AA1GAA
SCHEMBL43236 0.79 ELANE (0.52) ELANEMAPTALDH1A1HSP90AA1GAA
SCHEMBL9395495 0.79 ELANE (0.52) ELANEMAPTALDH1A1HSP90AA1GAA
SCHEMBL4672996 0.79 ELANE (0.52) ELANEMAPTALDH1A1HSP90AA1GAA
SCHEMBL434641 0.78 ELANE (0.49) ELANEMAPTALDH1A1L3MBTL1ATM

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