SCHEMBL19499832

SCHEMBL19499832

CC(=O)NC1[C@H](OCCOCCOCCOCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)COCCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)NC(=O)COCCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)C(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.48
▸ ANPEP P15144 2/20 0.46
▸ 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
▸ GLP1R P43220 8/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LGALS3 P17931 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ LGALS8 O00214 1/20 0.41
▸ LGALS4 P56470 1/20 0.41

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
SCHEMBL12420141 1.00 MAPK1 (0.48) MAPK1ANPEPESR1PGRHTR1A
SCHEMBL19499046 1.00 MAPK1 (0.48) MAPK1ANPEPESR1PGRHTR1A
SCHEMBL20250952 1.00 MAPK1 (0.48) MAPK1ANPEPESR1PGRHTR1A
SCHEMBL18568417 1.00 MAPK1 (0.48) MAPK1ANPEPESR1PGRHTR1A
SCHEMBL21086224 1.00 MAPK1 (0.48) MAPK1ANPEPESR1PGRHTR1A
SCHEMBL23730428 1.00 MAPK1 (0.48) MAPK1ANPEPESR1PGRHTR1A
SCHEMBL18490702 1.00 MAPK1 (0.48) MAPK1ANPEPESR1PGRHTR1A
SCHEMBL18584219 1.00 MAPK1 (0.48) MAPK1ANPEPESR1PGRHTR1A
SCHEMBL21207336 1.00 MAPK1 (0.48) MAPK1ANPEPESR1PGRHTR1A
SCHEMBL20250948 1.00 MAPK1 (0.48) MAPK1ANPEPESR1PGRHTR1A

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-9796756-B2 Galactose cluster-pharmacokinetic modulator targeting moiety for siRNA Arrowhead Pharmaceuticals, Inc. (US) 2017-10-24 — — US disclosed
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