SCHEMBL18456663

SCHEMBL18456663

COSC(=N)NCc1ccc(OCC(=O)N2CCOCC2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ KMT2A Q03164 4/20 0.60
▸ ALDH1A1 P00352 2/20 0.57
▸ HTT P42858 1/20 0.54
▸ MEN1 O00255 3/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ GAA P10253 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL20462652 0.84 LMNA (0.69) LMNAMAPK1KMT2AALDH1A1HTT
SCHEMBL18456601 0.82 LMNA (0.72) LMNAMAPK1KMT2AALDH1A1HTT
SCHEMBL18456581 0.81 LMNA (0.66) LMNAMAPK1KMT2AALDH1A1HTT
SCHEMBL1294980 0.74 ALDH1A1 (0.71) LMNAMAPK1KMT2AALDH1A1HTT
SCHEMBL20462812 0.73 TP53 (0.72) LMNAMAPK1KMT2AALDH1A1HTT
SCHEMBL5692309 0.73 ALDH1A1 (1.00) LMNAMAPK1KMT2AALDH1A1HTT
SCHEMBL31428602 0.73 ALDH1A1 (1.00) LMNAMAPK1KMT2AALDH1A1HTT
SCHEMBL18456587 0.72 TP53 (0.69) LMNAMAPK1KMT2AALDH1A1MEN1
SCHEMBL18425852 0.71 ALDH1A1 (0.67) LMNAMAPK1KMT2AALDH1A1HTT
SCHEMBL18426572 0.71 ALDH1A1 (0.76) LMNAMAPK1KMT2AALDH1A1HTT

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-2017019772-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2017-02-02 — — WO disclosed
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