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Sugi Predict / Compounds / SCHEMBL14958917

SCHEMBL14958917

SCHEMBL14958917

CCC(C)(C)Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(C(C)(CC)C(C)(CC)Oc5ccc(-c6ccc(Oc7ccc(C(=O)c8ccc(C(C)(C)CC)c(S(=O)(=O)O)c8)cc7S(=O)(=O)O)cc6)cc5)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ RRM1 P23921 1/20 0.30

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
SCHEMBL13918740 0.95 CASP1 (0.31) NPC1POLBCYP2C9RAB9A
SCHEMBL14958915 0.94 RRM1 (0.32) NPC1POLBCYP2C9RAB9ARRM1
SCHEMBL13919841 0.92 SCN9A (0.30) —
SCHEMBL13918647 0.91 — —
SCHEMBL13918655 0.90 RRM1 (0.31) RRM1
SCHEMBL10066823 0.89 CASP1 (0.35) NPC1POLBCYP2C9RAB9A
SCHEMBL14958924 0.87 CASP1 (0.33) NPC1POLBCYP2C9RAB9A
SCHEMBL10066813 0.86 CASP1 (0.36) NPC1POLBCYP2C9RAB9A
SCHEMBL13918666 0.86 — —
SCHEMBL14958964 0.85 SCN9A (0.31) —

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-8445141-B2 Sulfonic acid group-containing polymer, method for producing the same, resin composition containing such sulfonic acid group-containing polymer, polymer electrolyte membrane, polymer electrolyte membrane/electrode assembly, and fuel cell TOYO BOSEKI KABUSHIKI KAISHA (JP) 2013-05-21 — — US disclosed
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