SCHEMBL3386401

SCHEMBL3386401

CCCC[C@H](NC(=O)[C@H](CCCC)NNC(=O)COc1ccc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OC)cc2OC)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 5/20 0.41
▸ TLR2 O60603 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PTPN1 P18031 5/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TNF P01375 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ MME P08473 1/20 0.34

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
SCHEMBL7557772 0.93 NPC1 (0.35) MDM2NPC1RAB9AMEN1KMT2A
SCHEMBL8079493 0.92 MEN1 (0.40) MDM2NPC1RAB9APTPN1MEN1
SCHEMBL5330706 0.87 NPC1 (0.36) MDM2NPC1RAB9AMEN1KMT2A
Norleucine SCHEMBL7204454 0.82 SLC1A5 (0.36) MDM2NPC1RAB9AMEN1KMT2A
SCHEMBL2990766 0.82 MEN1 (0.43) NPC1RAB9AMEN1KMT2A
SCHEMBL4841403 0.82 NPC1 (0.42) NPC1RAB9AMEN1KMT2A
SCHEMBL17500350 0.81 NPC1 (0.43) NPC1RAB9AMEN1KMT2A
SCHEMBL7185186 0.80 NPC1 (0.34) MDM2NPC1RAB9AMEN1KMT2A
SCHEMBL303625 0.80 NPC1 (0.42) NPC1RAB9APTPN1MEN1KMT2A
SCHEMBL3433024 0.79 HSD17B10 (0.39) NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053001-B1 NOVEL MIXED AMYLIN ACTIVITY COMPOUNDS AMYLIN PHARMACEUTICALS INC (US) 2010-12-15 — — EP disclosed
EP-1053001-A4 NOVEL MIXED AMYLIN ACTIVITY COMPOUNDS AMYLIN PHARMACEUTICALS INC (US) 2006-01-04 — — EP disclosed
US-6936584-B1 Mixed amylin activity compounds AMYLIN PHARMACEUTICALS, INC. (US) 2005-08-30 — — US disclosed
EP-1053001-A1 NOVEL MIXED AMYLIN ACTIVITY COMPOUNDS AMYLIN PHARMACEUTICALS, INC. (US) 2000-11-22 — — EP disclosed
WO-1999040928-A1 NOVEL MIXED AMYLIN ACTIVITY COMPOUNDS AMYLIN PHARMACEUTICALS, INC. (US) 1999-08-19 — — WO disclosed
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