SCHEMBL18456601

SCHEMBL18456601

COc1cc(CNCI)ccc1OCC(=O)N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.72
▸ MAPK1 P28482 1/20 0.72
▸ ALDH1A1 P00352 2/20 0.66
▸ KMT2A Q03164 5/20 0.63
▸ MEN1 O00255 4/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ HTT P42858 1/20 0.61
▸ TP53 P04637 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ POLB P06746 1/20 0.52
▸ FKBP1A P62942 1/20 0.52

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 0.89 LMNA (0.69) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL18456581 0.86 LMNA (0.66) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL18456663 0.82 LMNA (0.61) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL31428602 0.80 ALDH1A1 (1.00) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL5692309 0.80 ALDH1A1 (1.00) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL1294980 0.79 ALDH1A1 (0.71) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL20462812 0.78 TP53 (0.72) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL18456587 0.76 TP53 (0.69) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL18425852 0.76 ALDH1A1 (0.67) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL18426572 0.76 ALDH1A1 (0.76) LMNAMAPK1ALDH1A1KMT2AMEN1

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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