SCHEMBL20040344

SCHEMBL20040344

CC(OC(=O)c1ccc(OC#N)cc1)C(=O)NCCCCC(NC(=O)C(C)OC(=O)c1ccc(C#N)cc1)C(=O)OC(C)C(=O)Oc1ccc(OC#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ CTSG P08311 1/20 0.33
▸ CMA1 P23946 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ DRD3 P35462 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ FOLH1 Q04609 1/20 0.31
▸ CTSL P07711 1/20 0.31

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
SCHEMBL20040346 0.82 SIRT1 (0.34) MGLLMEN1KMT2ANPC1RAB9A
SCHEMBL11921777 0.74 CTSL (0.39) RAB9ACTSL
SCHEMBL20040297 0.72 KMT2A (0.41) MGLLMEN1KMT2ANPC1RAB9A
SCHEMBL16270215 0.71 KMT2A (0.43) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL16270250 0.71 KMT2A (0.43) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL11921759 0.68 TSHR (0.42) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL20040343 0.67 KMT2A (0.39) MGLLMEN1KMT2ANPC1RAB9A
SCHEMBL20040351 0.67 NPC1 (0.48) KMT2ANPC1RAB9AFOLH1
SCHEMBL11925982 0.66 TSHR (0.41) RAB9AMMP2MMP3CTSL
SCHEMBL20040349 0.66 KMT2A (0.35) MGLLMEN1KMT2A

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
EP-2673259-B1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2018-04-11 — — EP disclosed
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