SCHEMBL7700518

SCHEMBL7700518

CC(C)(C)OC(=O)C(C(=O)c1ncc(C(F)(F)F)cc1Cl)C(=O)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL8489209 0.81 KMT2A (0.41) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL9118274 0.78 HPGD (0.45) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL27286555 0.73 KMT2A (0.34) KMT2AALDH1A1MAPTHPGDGAA
SCHEMBL8488374 0.73 CES2 (0.45) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL8492580 0.72 RAB9A (0.35) ALDH1A1MAPTHPGDGAALMNA
SCHEMBL8492842 0.71 ALDH1A1 (0.40) KMT2AALDH1A1MAPTMAPK1HPGD
SCHEMBL8493033 0.69 KMT2A (0.34) KMT2AMEN1LMNA
SCHEMBL8494848 0.69 HPD (0.57) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL7700496 0.69 KMT2A (0.52) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL8493489 0.68 SLC6A2 (0.39) ALDH1A1GAALMNAPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588357-B1 Isoxazoles derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-06-12 EP disclosed
EP-1156048-A1 Heteroaroyl-isoxazoles and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 2001-11-21 EP disclosed
US-5480857-A Herbicidal 4-heteroaroylisoxazole derivatives RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-01-02 US disclosed
WO-1995025099-A1 2-CYANO-1,3-DIONE DERIVATIVES USEFUL AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-09-21 WO disclosed
EP-0588357-A1 Isoxazoles derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-03-23 EP disclosed