SCHEMBL8106861

SCHEMBL8106861

CCC(O)Oc1c([N+](=O)[O-])ccc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HIF1A Q16665 1/20 0.35
HSPB1 P04792 1/20 0.34
TXNRD1 Q16881 1/20 0.33
CASP6 P55212 1/20 0.33
VCAM1 P19320 1/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
CA1 P00915 1/20 0.33
MMP2 P08253 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
SRD5A2 P31213 1/20 0.32

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
SCHEMBL1496673 0.82 ALDH1A1 (0.40) ALDH1A1ATMTDP1HIF1AHSPB1
SCHEMBL7029965 0.80 TDP1 (0.41) ALDH1A1ATMTDP1HIF1AHSPB1
SCHEMBL7022625 0.80 MMP2 (0.36) ALDH1A1ATMTDP1HIF1AHSPB1
SCHEMBL7022634 0.80 MMP2 (0.36) ALDH1A1ATMTDP1HIF1AHSPB1
SCHEMBL28082082 0.80 L3MBTL1 (0.41) ALDH1A1TDP1GAALMNAHPGD
SCHEMBL28082084 0.80 L3MBTL1 (0.41) ALDH1A1TDP1GAALMNAHPGD
SCHEMBL6649596 0.79 TDP1 (0.42) ALDH1A1ATMTDP1HIF1AHSPB1
SCHEMBL18128242 0.78 SMN1; SMN2 (0.38) ALDH1A1ATMTDP1HIF1AHSPB1
SCHEMBL25374274 0.78 KMT2A (0.35) ALDH1A1ATMTDP1HIF1AHSPB1
SCHEMBL1496810 0.77 LMNA (0.39) ALDH1A1ATMTDP1HIF1AHSPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7170991-A None JP disclosed
JP-5068577-A None JP disclosed
EP-1055732-A1 PROCESS FOR PRODUCING (R)-2-HYDROXY-1-PHENOXYPROPANE DERIVATIVE KANEKA CORPORATION (JP) 2000-11-29 EP disclosed
JP-H07170991-A PROPOXYBENZENE DERIVATIVE AND ITS PRODUCTION MERCIAN CORP 1995-07-11 JP disclosed
JP-H0568577-A PRODUCTION OF PROPOXYBENZEN DERIVATIVE MERCIAN CORP 1993-03-23 JP disclosed
JP-H00568577-A 0001-01-01 JP disclosed