SCHEMBL8030838

SCHEMBL8030838

CCOC=C(C(=O)c1ccc(S(F)(F)(F)(F)F)cc1[N+](=O)[O-])C(=O)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPD P32754 1/20 0.31
KMT2A Q03164 1/20 0.31
VCAM1 P19320 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
CES2 O00748 1/20 0.30

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
SCHEMBL8494988 0.87 MAPT (0.41) MAPTALDH1A1RAB9ASMN1; SMN2HPD
SCHEMBL8494992 0.87 MAPT (0.41) MAPTALDH1A1RAB9ASMN1; SMN2HPD
SCHEMBL8492099 0.84 HPD (0.48) MAPTALDH1A1HPDKMT2ALMNA
SCHEMBL8492102 0.84 HPD (0.48) MAPTALDH1A1HPDKMT2ALMNA
SCHEMBL8488965 0.83 VCAM1 (0.39) MAPTALDH1A1RAB9AKMT2AVCAM1
SCHEMBL8488966 0.83 VCAM1 (0.39) MAPTALDH1A1RAB9AKMT2AVCAM1
SCHEMBL8491093 0.83 HPD (0.38) MAPTALDH1A1RAB9ASMN1; SMN2HPD
SCHEMBL8886156 0.83 HPD (0.38) MAPTALDH1A1RAB9ASMN1; SMN2HPD
SCHEMBL8490485 0.82 HPD (0.40) MAPTALDH1A1HPDKMT2ALMNA
SCHEMBL8490479 0.82 HPD (0.40) MAPTALDH1A1HPDKMT2ALMNA

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-6140528-A ALKYL PENTAFLUOROSULFANYL-SUBSTITUTED-BENZOATES RHONE-POULENC AGRICULTURE LTD (GB) 2000-10-31 US disclosed
US-6013805-A USED AS HERBICIDES RHONE-POULENC AGRICULTURE LTD (GB) 2000-01-11 US disclosed
US-5849928-A Herbicidal isoxazole and 2-cyano-1,3-dione compounds RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-12-15 US disclosed