SCHEMBL17845882

SCHEMBL17845882

[3H]c1cc(Oc2ccc(C[C@@H](C(=O)O)N(I)I)cc2[3H])ccc1O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PCNA P12004 2/20 0.37
PPARG P37231 8/20 0.36
PPARA Q07869 8/20 0.36
PPARD Q03181 3/20 0.36
SLC7A5 Q01650 1/20 0.35
LDHA P00338 1/20 0.35
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL836728 0.87 SLC7A5 (0.46) PCNAPPARGPPARAPPARDSLC7A5
SCHEMBL10938101 0.87 SLC7A5 (0.46) PCNAPPARGPPARAPPARDSLC7A5
SCHEMBL169322 0.78 SLC7A5 (0.55) SLC7A5
SCHEMBL169321 0.78 SLC7A5 (0.55) SLC7A5
Methane SCHEMBL17267562 0.77 SLC7A5 (0.53) SLC7A5
SCHEMBL11198579 0.77 SLC7A5 (0.47) PCNAPPARGPPARAPPARDSLC7A5
SCHEMBL11198590 0.77 SLC7A5 (0.47) PCNAPPARGPPARAPPARDSLC7A5
SCHEMBL30716564 0.77 PCNA (0.44) PCNAPPARGPPARAPPARDSLC7A5
SCHEMBL7276725 0.73 SLC7A5 (0.46) PCNAPPARGPPARAPPARDSLC7A5
SCHEMBL31409225 0.73 ESR1 (0.51) PCNALDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059776-A2 ENHANCED DIFFERENTIATION OF PANCREATIC ISLET CELLS VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-03-21 WO disclosed
EP-4271399-A1 ENHANCED DIFFERENTIATION OF BETA CELLS Vertex Pharmaceuticals Incorporated (US) 2023-11-08 EP disclosed
WO-2023081884-A2 STEM CELL DIFFERENTIATION AND CHEMICAL COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-11 WO disclosed
WO-2022147056-A1 ENHANCED DIFFERENTIATION OF BETA CELLS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-07-07 WO disclosed
EP-3990624-A1 ENHANCED DIFFERENTIATION OF BETA CELLS Vertex Pharmaceuticals Incorporated (US) 2022-05-04 EP disclosed
EP-3833365-A1 STEM CELL DERIVED ISLET DIFFERENTIATION Vertex Pharmaceuticals Incorporated (US) 2021-06-16 EP disclosed
CN-112246221-A Polyion liquid covalent organic framework material, preparation method and application thereof 徐州医科大学 2021-01-22 CN disclosed
WO-2020264072-A1 ENHANCED DIFFERENTIATION OF BETA CELLS SEMMA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed
WO-2020033879-A1 STEM CELL DERIVED ISLET DIFFERENTIATION SEMMA THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed
WO-2016100898-A1 SERUM-FREE IN VITRO DIRECTED DIFFERENTIATION PROTOCOL FOR GENERATING STEM CELL-DERIVED B CELLS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-23 WO disclosed