SCHEMBL16954598

SCHEMBL16954598

COc1cc(OC(C)=O)cc([C](C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TTR P02766 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ BACE1 P56817 2/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ F2 P00734 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RXRA P19793 1/20 0.42

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
SCHEMBL16953510 0.92 LMNA (0.50) KMT2AMEN1SMN1; SMN2TP53KDM4E
SCHEMBL919577 0.89 ALDH1A1 (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1TP53
SCHEMBL13725392 0.86 RXRA (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1TP53
SCHEMBL40552 0.85 ALDH1A1 (0.61) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL16533898 0.85 CA1 (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1TP53
SCHEMBL16290846 0.83 PDE4A (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1TP53
SCHEMBL20836735 0.83 PDE4A (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1TP53
SCHEMBL16955368 0.82 KMT2A (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1TP53
SCHEMBL6194628 0.82 CYP3A4 (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1TP53
SCHEMBL14707645 0.82 LMNA (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
Send feedback