SCHEMBL19820096

SCHEMBL19820096

CCCCCCCCCCNC(=O)C(CCCCNC(=O)COCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)NC(=O)C(CCCCNC(=O)COCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N)NC(=O)COCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ GLP1R P43220 8/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ PGR P06401 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ AR P10275 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ TBXA2R P21731 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ ANPEP P15144 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ SELL P14151 3/20 0.39
▸ SELP P16109 3/20 0.39
▸ SELE P16581 3/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL20286536 1.00 MAPK1 (0.51) MAPK1GLP1RESR1PGRHTR1A
SCHEMBL21226768 1.00 MAPK1 (0.51) MAPK1GLP1RESR1PGRHTR1A
SCHEMBL19480776 1.00 MAPK1 (0.51) MAPK1GLP1RESR1PGRHTR1A
SCHEMBL19608855 1.00 MAPK1 (0.51) MAPK1GLP1RESR1PGRHTR1A
SCHEMBL21017006 0.97 GLP1R (0.49) MAPK1GLP1RESR1PGRHTR1A
SCHEMBL17519197 0.96 MAPK1 (0.56) MAPK1GLP1RESR1PGRHTR1A
SCHEMBL19820023 0.96 MAPK1 (0.56) MAPK1GLP1RESR1PGRHTR1A
SCHEMBL25775135 0.96 MAPK1 (0.56) MAPK1GLP1RESR1PGRHTR1A
SCHEMBL20285786 0.94 ESR1 (0.49) MAPK1GLP1RESR1PGRHTR1A
SCHEMBL18611008 0.93 MAPK1 (0.47) MAPK1GLP1RESR1PGRHTR1A

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
US-9879265-B2 Oligonucleotide conjugates ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2018-01-30 — — US disclosed
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