SCHEMBL20170918

SCHEMBL20170918

CN/C(=C\OC(C)NC)C(=O)CCCc1ccccc1O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IAPP P10997 1/20 0.36
▸ MPO P05164 5/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ AKR1B10 O60218 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ TYR P14679 1/20 0.32
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ ADRB2 P07550 2/20 0.31
▸ ADRB1 P08588 2/20 0.31
▸ TAAR1 Q96RJ0 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
SCHEMBL20170916 0.81 MMP13 (0.34) IAPPMPOSLC6A4
SCHEMBL3071452 0.71 MTNR1A (0.54) IAPPMPOSLC6A4MGLLAKR1B1
SCHEMBL7117086 0.68 CYP4F2 (0.49) IAPPMPOSLC6A4NPC1PKM
SCHEMBL27446763 0.67 TSHR (0.46) IAPPMPOSLC6A4NPC1PKM
SCHEMBL29191321 0.66 IAPP (0.58) IAPPMPOSLC6A4NPC1PKM
SCHEMBL9628209 0.65 MPO (0.49) MPOSLC6A4MGLLKDM4EHTR1A
SCHEMBL3068210 0.65 HSPA5 (0.48) IAPPMPOSLC6A4NPC1PKM
SCHEMBL27530341 0.64 TAAR1 (0.55) IAPPMPOSLC6A4MGLLAKR1B1
SCHEMBL1827150 0.64 AKR1B1 (0.61) IAPPMPOSLC6A4MGLLAKR1B1
SCHEMBL31155814 0.64 CYP4F2 (0.55) IAPPMPOSLC6A4NPC1PKM

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-2970334-B1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN MA INC (US) 2018-05-23 — — EP disclosed
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