SCHEMBL11258639

SCHEMBL11258639

CCOC(=O)C(C)Oc1ccc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 7/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 3/20 0.44
GSTP1 P09211 1/20 0.43
GSTM2 P28161 1/20 0.43
IDH1 O75874 1/20 0.43
THRB P10828 2/20 0.43
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL11516084 0.85 IDH1 (0.46) ALDH1A1MEN1KMT2ALMNAIDH1
SCHEMBL11514550 0.84 IDH1 (0.46) ALDH1A1MEN1KMT2ALMNAIDH1
SCHEMBL11262145 0.84 IDH1 (0.46) MEN1KMT2ALMNAIDH1CYP1A2
SCHEMBL11514770 0.84 IDH1 (0.46) MAPTALDH1A1KMT2ALMNAIDH1
SCHEMBL11514005 0.84 IDH1 (0.46) MAPTMEN1KMT2ALMNAIDH1
SCHEMBL11512279 0.83 IDH1 (0.45) MAPTMEN1KMT2ALMNAIDH1
SCHEMBL11514708 0.82 IDH1 (0.44) MAPTKMT2ALMNAIDH1POLB
SCHEMBL11516273 0.82 IDH1 (0.53) KMT2ALMNAIDH1POLB
SCHEMBL11513595 0.81 IDH1 (0.44) MAPTKMT2ALMNAIDH1CYP1A2
SCHEMBL10427630 0.80 MAPK1 (0.61) MAPTALDH1A1MEN1KMT2AIDH1

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
US-4335249-A PREEMERGENCE AND POSTEMERGENCE ROHM AND HAAS COMPANY (US) 1982-06-15 US disclosed
US-4178169-A Diphenyl sulfide, sulfoxide and sulfone plant growth regulators ROHM AND HAAS COMPANY (US) 1979-12-11 US disclosed
US-4070178-A Herbicidal diphenyl ethers ROHM AND HAAS COMPANY (US) 1978-01-24 US disclosed