SCHEMBL9625592

SCHEMBL9625592

O=C1c2ccccc2C(=O)N1OCCC=Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
ALDH1A1 P00352 5/20 0.49
ALDH3A1 P30838 1/20 0.46
RCE1 Q9Y256 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RECQL P46063 1/20 0.44
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
NAAA Q02083 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL9625589 1.00 GAA (0.56) GAAALDH1A1ALDH3A1RCE1CYP1A2
SCHEMBL8983750 0.91 GAA (0.53) GAAALDH1A1ALDH3A1RCE1CYP1A2
SCHEMBL8983743 0.91 GAA (0.53) GAAALDH1A1ALDH3A1RCE1CYP1A2
SCHEMBL8973595 0.88 GAA (0.50) GAAALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL8973593 0.88 GAA (0.50) GAAALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL9673492 0.84 ALDH1A1 (0.60) GAAALDH1A1ALDH3A1RCE1CYP1A2
SCHEMBL9673487 0.84 ALDH1A1 (0.60) GAAALDH1A1ALDH3A1RCE1CYP1A2
SCHEMBL8547193 0.80 GAA (0.50) GAAALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL8547189 0.80 GAA (0.50) GAAALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL22326350 0.77 GAA (0.88) GAAALDH1A1CYP1A2CYP2C9MEN1

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-0368225-B1 HYDROXYL AMINE DERIVATIVES BASF Aktiengesellschaft (DE) 1992-04-15 EP disclosed
US-5081301-A HYDROXYLAMINE DERIVATIVES WHICH ARE INTERMEDIATES FOR MAKING HERBICIDAL COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1992-01-14 US disclosed
EP-0368225-A1 Hydroxyl amine derivatives BASF Aktiengesellschaft (DE) 1990-05-16 EP disclosed