SCHEMBL22911797

SCHEMBL22911797

CCOC(=O)CC(=O)N(Cc1ccc(OC)cc1)C1(CC(=O)OCC)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ STS P08842 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MMP1 P03956 3/20 0.39
▸ MMP3 P08254 3/20 0.39
▸ MMP7 P09237 3/20 0.39
▸ MMP9 P14780 3/20 0.39
▸ MMP8 P22894 3/20 0.39
▸ MMP13 P45452 3/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ APP P05067 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL16761886 0.87 TSHR (0.41) ALDH1A1MMP13GPR119
SCHEMBL12543290 0.80 ALDH1A1 (0.44) LMNAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL22911800 0.79 SMN1; SMN2 (0.50) LMNAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL23986656 0.76 ALDH1A1 (0.66) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL24399168 0.74 LMNA (0.39) LMNAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7825644 0.73 ALDH1A1 (0.46) LMNAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL18748005 0.73 LMNA (0.45) LMNAMAPTSMN1; SMN2ALDH1A1EPHX2
SCHEMBL20644753 0.72 LMNA (0.42) LMNAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL17113489 0.72 LMNA (0.44) LMNAMAPTSMN1; SMN2ALDH1A1EPHX2
SCHEMBL12543781 0.71 RAB9A (0.43) LMNAMAPTSMN1; SMN2ALDH1A1KMT2A

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
WO-2021009229-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-01-21 — — WO disclosed
Send feedback