SCHEMBL25717634

SCHEMBL25717634

CC(=O)O[C@H]1O[C@@H]2C(OC(=O)c3ccccc3)[C@]2(C(C)OC(=O)c2ccccc2)[C@H]1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 14/20 0.39
▸ SLC43A1 O75387 1/20 0.38
▸ TSHR P16473 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SCN1A P35498 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36

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
SCHEMBL23619215 0.76 ABCB1 (0.41) ABCB1SLC43A1TSHRKMT2A
SCHEMBL18511798 0.75 ABCB1 (0.40) ABCB1SLC43A1TSHRKMT2A
SCHEMBL20725039 0.74 ABCB1 (0.41) ABCB1
SCHEMBL20725067 0.70 ABCB1 (0.38) ABCB1SLC43A1
SCHEMBL6098797 0.69 LMNA (0.38) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL881993 0.69 LMNA (0.38) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL22742954 0.69 LMNA (0.38) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL882327 0.69 LMNA (0.38) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL6975398 0.69 ABCB1 (0.41) ABCB1SLC43A1TSHRKMT2A
SCHEMBL6972631 0.69 ABCB1 (0.41) ABCB1SLC43A1TSHRKMT2A

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-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 — — EP disclosed
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