SCHEMBL8973595

SCHEMBL8973595

O=C1c2ccccc2C(=O)N1OCCC=Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 2/20 0.41
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.40
NFE2L2 Q16236 1/20 0.39
RPS6KA2 Q15349 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8973593 1.00 GAA (0.50) GAAALDH1A1MEN1KMT2ANPC1
SCHEMBL9625589 0.88 GAA (0.56) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL9625592 0.88 GAA (0.56) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8983750 0.80 GAA (0.53) GAAALDH1A1MEN1KMT2ARAB9A
SCHEMBL8983743 0.80 GAA (0.53) GAAALDH1A1MEN1KMT2ARAB9A
SCHEMBL8976739 0.80 ALDH1A1 (0.50) GAAALDH1A1MEN1KMT2ANPC1
SCHEMBL8976734 0.80 ALDH1A1 (0.50) GAAALDH1A1MEN1KMT2ANPC1
SCHEMBL8547193 0.75 GAA (0.50) GAAALDH1A1MEN1KMT2ARAB9A
SCHEMBL8547189 0.75 GAA (0.50) GAAALDH1A1MEN1KMT2ARAB9A
SCHEMBL10423124 0.75 ALDH1A1 (0.54) GAAALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0456089-B1 Cyclohexenonoximethers, process for their production and their application as herbicides BASF AG (DE) 1996-04-03 EP disclosed
US-5364833-A Controlling grasses in wheat and rice crops BASF AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed
EP-0456090-B1 Herbicidal agents containing cyclohexenone derivatives as active ingredients and naphthalene derivatives as antidotes BASF AG (DE) 1994-07-13 EP disclosed
US-5076831-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-12-31 US disclosed
EP-0456090-A2 Herbicidal agents containing cyclohexenone derivatives as active ingredients and naphthalene derivatives as antidotes BASF Aktiengesellschaft (DE) 1991-11-13 EP disclosed
EP-0456089-A1 Cyclohexenonoximethers, process for their production and their application as herbicides BASF Aktiengesellschaft (DE) 1991-11-13 EP disclosed
EP-0430004-A2 1,8-Naphthalimides as antidotes BASF Aktiengesellschaft (DE) 1991-06-05 EP disclosed