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SCHEMBL3395613

SCHEMBL3395613

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(C(=O)OC)cc2)NC(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ PDE1C Q14123 2/20 0.56
▸ GAA P10253 4/20 0.55
▸ ADORA2B P29275 6/20 0.49
▸ TSHR P16473 2/20 0.48
▸ MAPK1 P28482 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL3395085 0.92 MEN1 (0.63) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3399280 0.91 MEN1 (0.61) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3397427 0.90 MEN1 (0.58) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3398354 0.89 MEN1 (0.64) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3434652 0.89 MEN1 (0.64) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3397555 0.88 PDE1C (0.58) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3398047 0.88 MEN1 (0.60) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3393219 0.88 MEN1 (0.62) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3393538 0.88 MEN1 (0.78) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3395695 0.87 MEN1 (0.59) MEN1KMT2APDE1CGAAADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 — — WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 — — WO disclosed