SCHEMBL6485495

SCHEMBL6485495

COC(=O)C(C)(C(=O)O)c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
AR P10275 5/20 0.45
CYP2C19 P33261 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.43
CYP3A4 P08684 2/20 0.41
PGR P06401 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
CES2 O00748 1/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
TBXA2R P21731 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
SCHEMBL27847552 0.77 TDP1 (0.46) NPSR1ARTDP1ATMCYP3A4
SCHEMBL8769255 0.77 NPSR1 (0.48) NPSR1CYP2C19TDP1CYP3A4ALDH1A1
SCHEMBL11155059 0.77 NPSR1 (0.54) NPSR1ARCYP2C19TDP1ATM
SCHEMBL1970679 0.77 NPSR1 (0.50) NPSR1ARCYP2C19TDP1ATM
SCHEMBL626731 0.76 NPSR1 (0.57) NPSR1CYP2C19TDP1CYP3A4LMNA
SCHEMBL3536338 0.76 NPSR1 (0.64) NPSR1CYP2C19TDP1CYP3A4ALDH1A1
SCHEMBL29805801 0.76 ATM (0.45) NPSR1ARCYP2C19TDP1ATM
SCHEMBL9196616 0.75 ALDH1A1 (0.51) NPSR1ARTDP1ATMALDH1A1
SCHEMBL4766000 0.75 NPSR1 (0.57) NPSR1CYP2C19TDP1ATMALDH1A1
SCHEMBL15074725 0.74 ATM (0.56) NPSR1ARCYP2C19TDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900335-B2 Process for producing 5-fluorooxindole and for producing intermediates therefor UBE INDUSTRIES, LTD. (JP) 2005-05-31 US disclosed