SCHEMBL1958682

SCHEMBL1958682

CCOC(=O)C1(CN(CCC(=O)OC)Cc2ccc(OC)cc2)CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.42
▸ NPC1 O15118 8/20 0.42
▸ ATM Q13315 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL12543781 0.87 RAB9A (0.43) RAB9ANPC1ATMALDH1A1MMP2
SCHEMBL12543265 0.82 NPC1 (0.46) RAB9ANPC1ATMALDH1A1MMP2
SCHEMBL21301102 0.76 L3MBTL1 (0.43) RAB9ANPC1ATMALDH1A1MMP2
SCHEMBL6801124 0.75 KMT2A (0.58) RAB9ANPC1ATMALDH1A1KMT2A
SCHEMBL2888789 0.74 L3MBTL1 (0.47) RAB9ANPC1ATMALDH1A1MMP2
SCHEMBL24399168 0.74 LMNA (0.39) ALDH1A1KMT2AL3MBTL1MEN1POLB
SCHEMBL8878002 0.73 L3MBTL1 (0.61) RAB9ANPC1ALDH1A1KMT2AL3MBTL1
SCHEMBL23986656 0.73 ALDH1A1 (0.66) ALDH1A1KMT2AL3MBTL1MEN1KDM4E
SCHEMBL12543290 0.72 ALDH1A1 (0.44) ALDH1A1KMT2AL3MBTL1MEN1POLB
SCHEMBL21749211 0.72 L3MBTL1 (0.45) RAB9ANPC1ATMALDH1A1MMP2

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
EP-2513111-A1 MK2 INHIBITORS MSD Oss B.V. (NL) 2012-10-24 — — EP disclosed
WO-2011073119-A1 MK2 INHIBITORS N.V. ORGANON (NL) 2011-06-23 — — WO disclosed
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