SCHEMBL9019874

SCHEMBL9019874

CC(C)C(=O)C(C(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 3/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
HPD P32754 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PARP14 Q460N5 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8492645 0.84 ALDH1A1 (0.58) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL8492650 0.84 ALDH1A1 (0.58) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL8493162 0.80 HPD (0.57) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL997302 0.79 ALDH1A1 (0.59) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL31492417 0.78 ALDH1A1 (0.52) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL6072863 0.77 HPD (0.50) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL3410406 0.77 ALDH1A1 (0.46) MAPTALDH1A1KMT2APKMLMNA
SCHEMBL6487862 0.76 ALDH1A1 (0.55) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL6487852 0.76 ALDH1A1 (0.55) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL3016186 0.75 ALDH1A1 (0.47) MAPTALDH1A1PKMCYP3A4KDM4E

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
EP-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 EP disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP disclosed