SCHEMBL9711688

SCHEMBL9711688

CN1CC(C)(C)C(=O)C(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.60
PKM P14618 2/20 0.42
STAT3 P40763 1/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
TRPV4 Q9HBA0 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
SCHEMBL9711511 0.84 SMN1; SMN2 (0.43) HPDALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL9711550 0.82 ALDH1A1 (0.39) HPDPKMMAPTALDH1A1MEN1
SCHEMBL9133822 0.82 HPD (0.70) HPDPKMMAPTALDH1A1MEN1
SCHEMBL9711546 0.80 HPD (0.61) HPDPKMMAPTALDH1A1MEN1
SCHEMBL9711612 0.80 HPD (0.64) HPDPKMSTAT3MAPTALDH1A1
SCHEMBL2460810 0.79 HPD (0.65) HPDPKMSTAT3MAPTALDH1A1
SCHEMBL9137621 0.78 HPD (0.74) HPDPKMMAPTALDH1A1MEN1
SCHEMBL10377513 0.78 HPD (0.64) HPDPKMMAPTALDH1A1MEN1
SCHEMBL31388680 0.76 HPD (0.64) HPDPKMMAPTALDH1A1MEN1
Nitisinone SCHEMBL338795 0.76 HPD (1.00) HPDPKMMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed